SYMMETRY AND GROUP THEORY IN CHEMISTRY

Symmetry and group theory play a fundamental role in the field of chemistry, particularly in
understanding molecular structure, bonding, and spectroscopy. Symmetry refers to the concept
of balance, proportion, and regularity in objects or systems. In chemistry, the symmetry of
molecules and the application of group theory help predict and explain various chemical
properties and behaviors. Here's an overview of how symmetry and group theory are applied in
chemistry:
1. Molecular Symmetry:
 Molecular symmetry refers to the arrangement of atoms within a molecule that
preserves its overall shape and structure.
 Symmetric molecules have specific properties that can be predicted using group
theory, while asymmetric molecules lack such predictability.
2. Point Groups:
 In group theory, molecules are categorized into point groups based on their
symmetry elements, which are operations that leave the molecule unchanged.
 Common symmetry elements include inversion (i), rotation (Cn), reflection (σ),
and improper rotation (S2n).
 The point group of a molecule reflects the type and number of symmetry
elements it possesses.
3. Character Tables:
 Character tables are used to organize the symmetry operations of a molecule
and the corresponding irreducible representations (IRs) of these operations.
 Irreducible representations are mathematical representations of how the
molecular wave function transforms under symmetry operations.
 Character tables help determine the reducible representation and subsequently
the vibrational modes, electronic states, and spectroscopic properties of a
molecule.
4. Vibrational Spectroscopy:
 Group theory can be used to predict and interpret the vibrational spectra of
molecules. The normal modes of vibration can be classified into different IRs.
 Only IRs that transform as the x, y, or z components of a vector are infrared-
active, and this knowledge can help in interpreting IR spectra.

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 5. Electronic Structure and Spectroscopy:
 Molecular orbitals (MOs) and electronic states can be analyzed using group
theory.
 Understanding the symmetry properties of MOs can help explain electronic
transitions, UV-Vis spectra, and optical activity.
6. Chemical Bonding:
 Group theory can provide insights into the nature of chemical bonds. For
example, it can explain why some molecules have double bonds, while others
have single bonds.
 Molecular orbital theory and group theory are often used together to
understand bonding.
7. Crystallography:
 In solid-state chemistry, group theory is applied to crystallography to describe
the symmetry of crystals.
 Crystal symmetry elements help determine the diffraction patterns and crystal
structures.
8. Spectroscopic Selection Rules:
 Group theory helps derive spectroscopic selection rules, which determine the
allowed transitions in various spectroscopic techniques, such as vibrational,
electronic, and NMR spectroscopy.
In summary, symmetry and group theory are powerful tools in chemistry that provide a
systematic way to understand and predict the behavior of molecules, from their vibrational
spectra and electronic structure to their chemical bonding and crystallographic properties.
These concepts are essential in various areas of chemistry, including organic chemistry,
inorganic chemistry, and physical chemistry.
Symmetry in chemistry
Symmetry plays a significant role in chemistry, particularly in the study of molecular and crystal
structures. It helps in understanding the properties and behavior of molecules, as well as
simplifying the analysis of complex systems. Here are some key aspects of symmetry in
chemistry:
1. Molecular Symmetry: Molecular symmetry refers to the symmetry present in a
molecule due to the spatial arrangement of its atoms. It is crucial in predicting and

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 explaining various molecular properties, such as dipole moments, vibrational spectra,
and chemical reactivity.
a. Point Groups: Molecules are classified into point groups based on their symmetry elements,
which include rotation, reflection, inversion, and improper rotation. Each point group has a
specific set of symmetry operations and character tables that help analyze the molecular
symmetry.
b. Isomerism: Understanding molecular symmetry is essential in differentiating between
different isomers, such as geometric (cis-trans) and optical (enantiomer) isomers.
2. Vibrational Spectroscopy: Symmetry is central to the interpretation of vibrational
spectra, such as infrared and Raman spectroscopy. Vibrational modes are classified into
symmetry species, which helps identify the vibrational transitions that are allowed or
forbidden.
3. Chemical Reactions: Knowledge of molecular symmetry is valuable in predicting the
outcome of chemical reactions, especially in organometallic chemistry and group
theory. It helps determine which reactions are symmetry-allowed and which are
forbidden.
4. Crystallography: In solid-state chemistry, the study of crystal structures relies on
symmetry. Crystals are described in terms of their space groups, which reflect the three-
dimensional arrangement of atoms or ions within the crystal lattice.
5. Chirality: The concept of chirality is closely related to symmetry. Chiral molecules are
non-superimposable mirror images of each other and lack a center of symmetry. This
property has significant implications in biology, pharmacology, and asymmetric
synthesis.
6. Symmetry in Quantum Mechanics: Quantum mechanics uses symmetry principles to
simplify the solution of the Schrödinger equation for complex systems. Symmetry
operators and selection rules are applied to predict allowed energy levels and
transitions in atoms and molecules.
7. Group Theory: Group theory is a mathematical tool that is heavily employed in
chemistry to analyze symmetry. It helps identify the irreducible representations of
molecular vibrations and electronic states, allowing the prediction of spectroscopic
properties.
8. Coordination Compounds: Coordination complexes often exhibit different types of
isomerism and geometries, which can be analyzed using symmetry principles. Ligands,
central metal ions, and the overall structure can have various symmetries.
Understanding symmetry in chemistry simplifies the description of molecules and their
properties, aids in the interpretation of experimental data, and guides the design of chemical
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reactions and materials with specific properties. It is a fundamental concept for both theoretical
and experimental chemists.

Symmetry elements
Symmetry elements are characteristics or features of an object or system that indicate the
presence of symmetry operations. Symmetry operations are transformations that leave an
object or system unchanged. Symmetry elements are particularly important in the fields of
chemistry, crystallography, and physics, as they help describe and understand the properties
and behavior of objects with symmetry. Here are some common symmetry elements:
1. Mirror Plane (σ): A mirror plane is a flat surface that divides an object into two equal,
mirror-image halves. When an object is reflected in this plane, it appears unchanged.
2. Center of Symmetry (i or S_n): A center of symmetry is a point in space where the
object is symmetric with respect to that point. This means that if you draw a line from
any point on the object through the center of symmetry, it will pass through a
corresponding point on the opposite side.
3. Rotation Axis (C_n): A rotation axis is an imaginary line around which the object can be
rotated by a certain angle (usually 360°/n) to achieve the same appearance. The value of
"n" represents the number of equally spaced positions into which the object can be
rotated.
4. Inversion Center (i or S_1): An inversion center is a point in space where the object is
symmetric with respect to that point. When you perform an inversion operation
(reflecting through the center and reversing the direction), the object returns to its
original state.
5. Improper Rotation Axis (S_n): An improper rotation axis is a combination of a rotation
followed by a reflection in a plane perpendicular to the axis. It combines both rotational
and reflection symmetry.
6. Rotational Axis with a Mirror Plane (S_n): This is a combination of a rotation axis and a
mirror plane. It combines rotational and reflection symmetry.
7. Vertical Plane (σ_v): A vertical plane is a vertical flat surface that divides an object into
two mirror-image halves. It is typically perpendicular to the principal rotation axis.
8. Horizontal Plane (σ_h): A horizontal plane is a horizontal flat surface that divides an
object into two mirror-image halves. It is typically perpendicular to the principal rotation
axis.

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 9. n-fold Rotation-Inversion Axis (S_n): This combines an n-fold rotation axis with
inversion symmetry. It represents an n-fold rotation followed by inversion through the
center of rotation.
10. Glide Plane (σ_g): A glide plane is a symmetry element that combines a translation with
a reflection. When an object is translated and reflected across a glide plane, it returns to
its original state.
These symmetry elements are used to describe the symmetry of molecules, crystals, and
various physical objects. Understanding symmetry can be helpful in predicting physical and
chemical properties, as well as in crystallography to determine the structure of crystals.

symmetry elements in chemistry with examples

Symmetry elements are a fundamental concept in chemistry that describe the symmetry of
molecules and crystals. They are used to understand and predict the physical and chemical
properties of these substances. Some common symmetry elements in chemistry include:
1. Center of Inversion (i): A molecule or crystal has a center of inversion when there is an
inversion operation that leaves the molecule or crystal unchanged. In other words, if
you rotate a molecule 180 degrees around its center, it should look the same. An
example is the molecule methane (CH4), which has a center of inversion at the carbon
atom.
2. Mirror Plane (σ): A mirror plane is a plane that divides a molecule or crystal into two
equal halves, and when one half is reflected over the mirror plane, it superimposes
perfectly with the other half. An example is water (H2O), which has a mirror plane
perpendicular to the plane of the molecule.
3. Rotational Axis (Cn): A rotational axis is an axis around which a molecule can be rotated
by a certain angle (360°/n) and still look the same. Examples include:
 C2 axis: Rotation by 180 degrees, as seen in ethene (C2H4).
 C3 axis: Rotation by 120 degrees, as seen in benzene (C6H6).
 C4 axis: Rotation by 90 degrees, as seen in cyclobutane (C4H8).
4. Improper Rotation (S): An improper rotation is a combination of a rotation followed by a
reflection across a plane perpendicular to the rotation axis. This is also known as a
"rotoinversion" operation. An example is methane (CH4), which has an S4 improper
rotation axis.

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 5. Identity Element (E): The identity element represents no symmetry operation. It means
that no change occurs when the element is applied. Every molecule or crystal has the
identity element.
These symmetry elements can be combined to describe the overall symmetry of a molecule or
crystal. For example, a molecule with both a C2 rotational axis and a mirror plane is described
as having C2v symmetry. Understanding the symmetry of a molecule or crystal is important in
predicting its physical and chemical properties, as it can help determine its spectroscopic and
optical behavior, reactivity, and more.

Mirror plane in molecules with examples

A mirror plane, also known as a plane of symmetry or reflection plane, is an element of
symmetry in a molecule that divides the molecule into two equal halves, with one half being
the mirror image of the other. This means that if you were to place a mirror perpendicular to
the plane, the reflection of one half of the molecule would perfectly overlap with the other half.
Mirror planes are commonly found in molecules with certain types of symmetry.
Here are some examples of molecules with mirror planes:
1. Ethene (C2H4): Ethene is a simple hydrocarbon with a double bond between the two
carbon atoms. The molecule has a mirror plane perpendicular to the plane of the
molecule, which divides it into two equal halves.

H H \ / C=C / \ H H
2. Chloroform (CHCl3): Chloroform has a mirror plane that bisects the molecule into two
identical halves. The carbon and hydrogen atoms form one half, while the chlorine
atoms make up the other half.

H|
H-C-Cl | H

3. **Butanal (C4H8O):** Butanal, an aldehyde, also exhibits a mirror plane. The plane divides
the molecule into two identical parts, each containing two carbon atoms, four hydrogen atoms,
and one oxygen atom.
H H \ / C=O /
HH

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4. **Benzene (C6H6):** Benzene is a planar aromatic ring with a mirror plane that bisects the
molecule into two equal halves. The carbon-carbon (C-C) bonds are all of the same length, and
the molecule is symmetrical.
H
/
/
CC\/\/H

5. **Tetrachloromethane (CCl4):** Tetrachloromethane (also known as carbon tetrachloride)

has a mirror plane that passes through the central carbon atom and divides the molecule into
two equal parts, with chlorine atoms on either side.
Cl | C
/|
Cl Cl Cl \ | / C | Cl

These examples demonstrate the presence of mirror planes in various molecules with different
degrees of complexity and symmetry. A molecule can have more than one mirror plane if it
possesses multiple symmetry elements. Mirror planes are essential for understanding a
molecule's symmetry and its physical and chemical properties.
Mirror plane in molecules with examples
A mirror plane, also known as a "plane of symmetry" or "symmetry plane," is an important
concept in the field of chemistry, especially when studying molecular symmetry. A molecule
exhibits mirror plane symmetry if it can be divided into two equal halves by a plane that acts as
a mirror, reflecting one half onto the other. In other words, if you were to place a mirror along
the plane of symmetry, one half of the molecule would be the mirror image of the other half.
Here are a few examples of molecules with mirror plane symmetry:
1. Ethene (C2H4): Ethene is a simple hydrocarbon with a double bond between two carbon
atoms and two hydrogen atoms attached to each carbon. The molecule has a mirror
plane that bisects the molecule along the carbon-carbon double bond. Each carbon
atom and its attached hydrogens are mirror images of each other when the molecule is
reflected in this plane.
H|C=C|H

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 2. Acetone (CH3COCH3): Acetone is a common organic compound found in nail polish
remover and other solvents. It has a mirror plane that passes through the carbon atom
in the middle (the carbonyl carbon) and bisects the molecule into two identical halves.
CH3 | C=O | CH3
3. Tetrachloromethane (CCl4): Tetrachloromethane, also known as carbon tetrachloride, is
a tetrahedral molecule with four chlorine atoms surrounding a central carbon atom. It
has three different mirror planes: one through the central carbon atom and one through
each pair of opposing chlorine atoms.

Cl |
Cl--C--Cl | Cl
4. 1,2-Dichloroethane (CH2Cl-CH2Cl): This molecule has mirror plane symmetry that passes
through the central carbon atom, bisecting the molecule into two identical halves.
Cl | CH2-Cl | CH2-Cl
5. Benzene (C6H6): Benzene is a planar ring-shaped molecule with a hexagonal structure. It
has multiple mirror planes, including those passing through the center of the ring and
perpendicular to the ring, which bisect the molecule into symmetrical halves.
H/
HC\/
C/\/HC\/
C/\
HH
These examples illustrate molecules with mirror plane symmetry. It's important to note that
not all molecules exhibit mirror plane symmetry, and the presence or absence of such
symmetry can have implications for their physical and chemical properties. Symmetry analysis
is often used in group theory to understand molecular structure and predict molecular
properties.

center of inversion in molecules with examples

The center of inversion, often referred to as an inversion center or simply an inversion point, is
a point in a molecule where every atom is equidistant from the center, and the entire molecule
possesses an inversion symmetry. This means that if you were to draw an imaginary line
(inversion axis) through the center of inversion and invert the positions of all atoms across this

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axis, the resulting molecule would be superimposable with the original molecule. In other
words, it looks the same when rotated 180 degrees around this center.
Here are a few examples of molecules with a center of inversion:
1. Methane (CH4): Methane is a tetrahedral molecule with a center of inversion at the
carbon atom. If you were to invert the positions of the four hydrogen atoms across the
center of the carbon atom, the resulting molecule would be indistinguishable from the
original.
2. Ethane (C2H6): Ethane is another hydrocarbon with a center of inversion. In this
molecule, the center of inversion lies at the midpoint between the two carbon atoms.
Inverting the positions of the hydrogen atoms and carbon atoms across this center
results in a superimposable molecule.
3. Cyclohexane (C6H12): Cyclohexane is a six-membered ring structure with a center of
inversion at its center. If you invert the positions of the carbon and hydrogen atoms
across this center, the resulting molecule will be identical to the original.
4. Benzene (C6H6): Benzene is a planar, hexagonal ring of carbon atoms with a center of
inversion at the center of the ring. When you invert the positions of the carbon and
hydrogen atoms across this center, the resulting molecule will remain unchanged.
5. Ammonia (NH3): Ammonia has a center of inversion at the nitrogen atom. If you were to
invert the positions of the three hydrogen atoms across the nitrogen atom, the resulting
molecule would be superimposable with the original.
6. Water (H2O): Water is a bent molecule with a center of inversion at the oxygen atom.
Inverting the positions of the two hydrogen atoms across the oxygen atom results in a
molecule that is identical to the original.
These examples illustrate the presence of a center of inversion in various simple molecules. In
more complex molecules, the presence of inversion symmetry may not be as obvious, but it can
still exist if the molecule possesses the necessary geometric and structural characteristics.
Rotational axis in molecules with examples
The rotational axis in a molecule refers to an imaginary line around which the molecule can
rotate. This axis is often determined by the symmetry of the molecule, and the number of
unique rotational axes depends on the molecule's shape and symmetry. The most common
types of rotational axes in molecules are the Cn axes, where "n" represents the order of
rotation, and they are typically associated with different molecular geometries.
Here are some examples of molecules and their associated rotational axes:
1. C1 Axis (No Rotational Symmetry):

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  Example: H2O (water)
 Water has a single C1 axis because it lacks any symmetry, and it can rotate freely
around any axis passing through the molecule.
2. C2 Axis (Twofold Rotational Symmetry):
 Example: H2 (hydrogen gas)
 Hydrogen gas (H2) has a C2 axis because it has twofold rotational symmetry
along its molecular axis. You can rotate it 180 degrees about this axis without
changing its appearance.
3. C3 Axis (Threefold Rotational Symmetry):
 Example: CH3Cl (methyl chloride)
 Methyl chloride has a C3 axis because it has threefold rotational symmetry along
its molecular axis. You can rotate it 120 degrees around this axis without
changing its appearance.
4. C4 Axis (Fourfold Rotational Symmetry):
 Example: C6H6 (benzene)
 Benzene has a C6 axis because it has fourfold rotational symmetry along its
molecular axis. You can rotate it 90 degrees around this axis without changing its
appearance.
5. Dihedral (C2n) Axis:
 Example: Ethane (C2H6)
 Ethane has a dihedral C2 axis, which is a twofold axis perpendicular to the
molecular axis. It allows the molecule to rotate by 180 degrees about the
carbon-carbon bond.
6. Spherical Symmetry:
 Example: Methane (CH4)
 Methane has spherical symmetry and is often represented as having an infinite
number of C∞ axes because it looks the same when viewed from any direction.
7. Linear Molecule:
 Example: CO2 (carbon dioxide)

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  Linear molecules like carbon dioxide have no Cn axes because there is no unique
axis of rotation. You can rotate them 180 degrees around any axis without
changing their appearance.
8. Tetrahedral Molecule:
 Example: CH4 (methane)
 Tetrahedral molecules like methane have no Cn axes, but they do have a high
degree of symmetry due to their three-dimensional arrangement of atoms.
These are just a few examples, and the presence and number of rotational axes in a molecule
depend on its geometry and symmetry. Symmetry is a fundamental concept in chemistry and
plays a crucial role in Rotational axis in molecules with examples
Rotational Axis
The rotational axis in molecules refers to an imaginary line around which a molecule can rotate.
This rotation can occur either in a plane or in three-dimensional space. The concept of
rotational axes is particularly important in chemistry and spectroscopy, as it helps describe a
molecule's structure and its spectroscopic properties. There are several types of rotational axes
in molecules, including the following:
1. C2 Axis: A molecule with a C2 axis possesses a twofold rotational symmetry axis. This
means that the molecule can be rotated by 180 degrees about the axis, and its
appearance remains unchanged. One of the classic examples of a molecule with a C2
axis is ethene (C2H4).

2. C3 Axis: A molecule with a C3 axis possesses a threefold rotational symmetry axis. It can
be rotated by 120 degrees (360°/3) about the axis while maintaining its appearance. An
example is benzene (C6H6).

3. C4 Axis: A molecule with a C4 axis has a fourfold rotational symmetry axis. It can be
rotated by 90 degrees (360°/4) about the axis while preserving its appearance. An
example is methane (CH4).

4. Spherical Top Molecules: These molecules have a high degree of symmetry and exhibit
no permanent dipole moments. Examples include methane (CH4), carbon tetrachloride
(CCl4), and sulfur hexafluoride (SF6). They can rotate freely in three dimensions.

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 5. Linear Molecules: Linear molecules have a C∞ or ∞ axis of rotation because they can
rotate indefinitely about the molecular axis without changing their appearance. An
example is diatomic hydrogen (H2).
6. Diatomic Molecules: Diatomic molecules like O2 and N2 have a C∞v axis, indicating
they can rotate indefinitely around their molecular axis.
These are just a few examples of the types of rotational axes in molecules. Molecules with
higher rotational symmetry are often more stable and have distinct spectroscopic properties,
making them important in chemistry and physics. Understanding the rotational axes of a
molecule is essential for interpreting its vibrational and rotational spectra, which are valuable
tools in structural analysis and the study of molecular properties and understanding the
physical and chemical properties of molecules.

Rotational axis in molecules with examples

The concept of a rotational axis in molecules is closely related to their symmetry and can be
used to describe their spatial orientation. In chemistry, rotational symmetry is important for
understanding molecular structure and properties. There are several types of rotational axes in
molecules, each of which corresponds to a certain degree of symmetry. Here are some
examples of rotational axes in molecules:
1. C1 Axis:
 A molecule with a C1 axis has no rotational symmetry. This means that when you
rotate the molecule by any angle (other than 360 degrees), its appearance
changes.
 Examples: Methane (CH4), water (H2O) in certain orientations.
2. C2 Axis:
 A molecule with a C2 axis has a 180-degree rotational symmetry. This means that
when you rotate the molecule by 180 degrees, it will look the same as its original
orientation.
 Examples: Ethene (C2H4), hydrogen peroxide (H2O2).
3. C3 Axis:
 A molecule with a C3 axis has a 120-degree rotational symmetry. It will look the
same after a 120-degree rotation.
 Examples: Propene (C3H6), boron trifluoride (BF3).
4. C4 Axis:

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  A molecule with a C4 axis has a 90-degree rotational symmetry. It will look the
same after a 90-degree rotation.
 Examples: Benzene (C6H6), butadiene (C4H6).
5. C5 Axis:
 A molecule with a C5 axis has a 72-degree rotational symmetry. It will look the
same after a 72-degree rotation.
 Examples: Cyclopentane (C5H10).
6. C6 Axis:
 A molecule with a C6 axis has a 60-degree rotational symmetry. It will look the
same after a 60-degree rotation.
 Examples: Cyclohexane (C6H12), benzene (C6H6) in certain orientations.
7. Spherical Symmetry:
 Molecules with spherical symmetry have an infinite number of Cn axes, where n
approaches infinity. This means they look the same after any rotation.
 Examples: Spherical molecules like methane (CH4) in certain orientations,
fullerenes (e.g., C60).
Molecules with higher degrees of rotational symmetry are often more stable and have unique
properties. Understanding the presence of rotational axes in molecules is crucial in the study of
molecular geometry, spectroscopy, and chemical reactivity.
Molecules with rotational axis and mirror planes examples
Molecules with both rotational axes and mirror planes are said to possess symmetry elements
that make them particularly interesting in the study of molecular symmetry. These molecules
are often found in organic chemistry and have special properties due to their symmetry. Here
are a few examples:
1. Ethene (C2H4):
 Rotational Axis: Ethene has a C2 axis. This means you can rotate it by 180
degrees around an axis perpendicular to the molecular plane, and it will look the
same.
 Mirror Plane: Ethene also has a horizontal mirror plane. If you imagine a mirror
placed in the plane of the molecule, the reflection of the molecule will be
identical to the original molecule.
2. Benzene (C6H6):

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  Rotational Axis: Benzene has a C6 axis. You can rotate it by 60 degrees around a
vertical axis going through the center of the ring, and it will appear the same.
 Mirror Plane: Benzene has multiple mirror planes. You can find horizontal and
vertical mirror planes passing through the center of the ring, bisecting it into
symmetrical halves.
3. Dichloromethane (CH2Cl2):
 Rotational Axis: Dichloromethane has a C2 axis. You can rotate it by 180 degrees
around an axis passing through the carbon atom, and it will appear the same.
 Mirror Plane: Dichloromethane has a mirror plane. If you imagine a mirror
parallel to the plane of the molecule bisecting it into two symmetrical halves, the
reflected image will be identical.
4. Tetrafluoromethane (CF4):
 Rotational Axis: CF4 has a C3 axis. You can rotate it by 120 degrees around a
vertical axis going through the carbon atom, and it will look the same.
 Mirror Plane: CF4 has multiple mirror planes. You can find three vertical mirror
planes passing through the center of the carbon atom and bisecting the
molecule into identical halves.
These examples demonstrate molecules with various degrees of rotational and mirror
symmetry. Understanding molecular symmetry is essential in chemistry, as it helps predict and
explain various properties, including spectroscopic behavior and reactivity.
Molecules with rotational axis and mirror planes examples
Molecules that possess both a rotational axis and mirror planes are often referred to as having
high symmetry. In chemistry, such molecules are classified as having specific point group
symmetries. Here are a few examples of molecules with rotational axes and mirror planes:
1. Ethene (C2H4): Ethene, also known as ethylene, has a C2 rotational axis and a
perpendicular mirror plane that bisects the molecule. This molecule belongs to the D2h
point group.
2. Benzene (C6H6): Benzene has a C6 rotational axis along its central ring, as well as
multiple mirror planes (horizontal and vertical). It belongs to the D6h point group.
3. Chloromethane (CH3Cl): Chloromethane has a C3 rotational axis (the carbon-chlorine
bond) and a perpendicular mirror plane that contains the carbon atom. This molecule
belongs to the C3v point group.

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 4. Borazine (B3N3H6): Borazine has a C3 rotational axis through the boron-nitrogen bonds
and multiple mirror planes. It belongs to the D3h point group.
5. Cyclohexane (C6H12): Cyclohexane has a C6 rotational axis along its central ring and
multiple mirror planes. It belongs to the D3d point group.
6. Octahedral Molecules (e.g., SF6): Octahedral molecules like sulfur hexafluoride (SF6)
have multiple C3 rotational axes and several perpendicular mirror planes. They belong
to the Oh point group.
7. Methyl iodide (CH3I): Methyl iodide has a C3 rotational axis through the carbon-iodine
bond and a perpendicular mirror plane that contains the iodine atom. It belongs to the
C3v point group.
These examples represent a range of molecular symmetries with various combinations of
rotational axes and mirror planes. The point group classification helps chemists understand and
predict the physical and chemical properties of molecules based on their symmetry.

inversion center in molecules with examples

An inversion center, also known as a center of symmetry or a center of inversion, is a point
within a molecule where the positions of all atoms or groups of atoms are related by inversion
through that point. In other words, if you were to draw a line through the inversion center and
rotate the molecule by 180 degrees, the resulting structure would be identical to the original.
Molecules with inversion centers are often symmetric and can exhibit certain special
properties. Here are a few examples of molecules with inversion centers:
1. Methane (CH4): Methane is a simple molecule with a tetrahedral geometry. It has an
inversion center in the middle of the carbon atom, where the four hydrogen atoms are
symmetrically arranged.
2. Ammonia (NH3): Ammonia has a pyramidal shape with a lone pair of electrons on the
nitrogen atom. Despite this lone pair, ammonia has an inversion center at the nitrogen
atom. If you were to invert the molecule through this point, it would look the same.
3. Benzene (C6H6): Benzene is a planar, hexagonal molecule with alternating double and
single carbon-carbon bonds. It has an inversion center at its center. If you rotate the
molecule by 180 degrees, it remains unchanged.
4. Cyclohexane: Cyclohexane, in its chair conformation, has an inversion center at the
center of the ring. The chair conformation is one of the most stable forms of
cyclohexane, and this symmetry contributes to its stability.

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 5. Cubane (C8H8): Cubane is a cubic molecule with eight carbon atoms at the corners of a
cube, each bonded to a hydrogen atom. It has a center of inversion in the middle of the
cube, making it a highly symmetric molecule.
6. Octahedral Compounds: Many coordination compounds with octahedral geometry
possess an inversion center at the metal ion in the center of the octahedron. Examples
include complexes of transition metals like [Co(NH3)6]3+ and [Fe(H2O)6]2+.
Molecules with inversion centers often have high symmetry and are useful in crystallography
and spectroscopy. The presence of an inversion center simplifies the analysis of their properties
and behavior.
inversion center in molecules with examples
An inversion center, also known as a center of inversion or an inversion point, is a point in a
molecule where the positions of all atoms are related by a 180-degree rotation around that
point. In other words, if you were to imagine a line passing through the inversion center, each
atom on one side of the line is mirrored by an atom on the other side. This results in a molecule
that is identical when rotated by 180 degrees around the inversion center.
Molecules that possess an inversion center are said to have inversion symmetry, and they often
belong to the point group Oh (for molecules) or O (for solids) in crystallography and group
theory.
Here are a few examples of molecules with inversion centers:
1. Methane (CH4): Methane is a simple example of a molecule with an inversion center. If
you imagine a point at the center of the carbon atom, and you rotate the molecule by
180 degrees, the hydrogen atoms switch places, and the molecule looks the same.
2. Ammonia (NH3): Ammonia also has an inversion center. The nitrogen atom serves as
the center of inversion. When you rotate ammonia by 180 degrees around the nitrogen
atom, the three hydrogen atoms switch positions, resulting in an identical molecule.
3. Ethene (C2H4): Ethene (ethylene) contains a center of inversion at the midpoint
between the two carbon atoms. When you perform a 180-degree rotation about this
point, the two carbon atoms and the attached hydrogen atoms switch positions, making
the molecule indistinguishable from its original orientation.
4. Octahedral Compounds: Many metal complexes with octahedral geometry have
inversion centers. For example, hexacoordinate transition metal complexes like
[Ni(CN)6]4- or [Fe(H2O)6]2+ have inversion symmetry, with the metal atom at the
center.

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Inversion centers are important in molecular symmetry analysis, as they help determine the
point group to which a molecule belongs. Understanding the symmetry of a molecule is crucial
in predicting its physical properties, spectroscopic behavior, and reactivity.
inversion center in molecules with examples
An inversion center, also known as a center of inversion or a symmetry center, is a point in a
molecule where the spatial arrangement of atoms is symmetrical, and each atom on one side of
the center is mirrored or inverted with respect to the other side of the center. In other words, if
you were to draw a line connecting any two atoms through the center of inversion, the
distances and angles between the corresponding atoms on opposite sides of the center would
be identical.
Molecules that possess an inversion center exhibit a specific type of symmetry known as
inversion symmetry. This means that if you were to take one-half of the molecule and flip it
over the inversion center, it would perfectly overlap with the other half.
Here are a few examples of molecules with an inversion center:
1. Methane (CH4): Methane is a tetrahedral molecule with a carbon atom at the center
and four hydrogen atoms bonded to it. The carbon atom serves as the inversion center
in this molecule. If you were to flip one of the hydrogen atoms over the carbon atom, it
would overlap perfectly with the hydrogen atom on the opposite side.
2. Ammonium ion (NH4+): The ammonium ion is also tetrahedral, with a central nitrogen
atom and four hydrogen atoms. The nitrogen atom is the inversion center. Flipping one
of the hydrogen atoms over the nitrogen atom results in an identical arrangement.
3. Cyclobutane (C4H8): In cyclobutane, each carbon atom is bonded to two hydrogen
atoms and two neighboring carbon atoms, forming a square-like ring. The center of the
ring serves as the inversion center. If you were to flip one side of the ring over the
center, it would match the other side.
4. Cis-1,2-dichloroethene (C2H2Cl2): In this molecule, the chlorine atoms are on opposite
sides of the double bond, and the central carbon atom serves as the inversion center.
Flipping one chlorine atom over the carbon atom would result in an identical
configuration.
5. Octahedral complexes: Many transition metal complexes, such as [Co(NH3)6]3+, have
an octahedral arrangement of ligands around the central metal atom. The metal atom
itself acts as the inversion center. Flipping one ligand over the metal atom would give
the same arrangement.
These examples demonstrate the concept of an inversion center in various molecules and ions,
highlighting the presence of inversion symmetry. Inversion symmetry is an important feature in

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the study of molecular symmetry and plays a role in various aspects of chemistry, including
spectroscopy and molecular orbital theory.

Improper Rotation Axis (S_n): examples

Improper rotation axes, denoted as S_n, are symmetry operations that involve both rotation
and reflection components. They are called "improper" because they include a reflection. The
axis of rotation is perpendicular to the plane of reflection. Here are some examples of improper
rotation axes:
1. S2 (σh): This is a simple example of an improper rotation axis. It involves a 180-degree
rotation combined with a horizontal reflection. Imagine a square or a rectangle; when
you rotate it by 180 degrees and then reflect it horizontally, the resulting shape is
unchanged.
2. S3: This involves a 120-degree rotation combined with a reflection. It can be visualized
with a hexagon. After rotating it by 120 degrees and then reflecting it, the hexagon
remains unchanged.
3. S4 (σd): This improper rotation axis combines a 90-degree rotation with diagonal
reflection. Think of a square; when you rotate it by 90 degrees and then reflect it
diagonally, it maintains its symmetry.
4. S6 (σv): S6 involves a 60-degree rotation combined with a vertical reflection. It can be
visualized with a regular hexagon. After the 60-degree rotation and vertical reflection,
the hexagon is invariant.
5. S8 (σd): This improper rotation axis combines a 45-degree rotation with diagonal
reflection. You can visualize it with an octagon. After a 45-degree rotation and diagonal
reflection, the octagon maintains its shape.
These examples showcase the concept of improper rotation axes in symmetry operations,
where a combination of rotation and reflection results in an object that appears unchanged.

examples of Improper Rotation Axis (S_n) molecules

Improper rotation axes, denoted as S_n, are a type of symmetry operation in molecular
symmetry. They are not associated with any physical rotation but instead involve a combination
of rotations and reflections. Improper rotation axes can be found in molecules with certain
symmetrical arrangements. The most common examples are:

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 1. Water (H2O): Water molecule has a C2v point group symmetry. The S2 axis can be found
in water, which is essentially a reflection combined with a half-turn rotation. This
operation transforms the molecule into itself.
2. Ammonia (NH3): Ammonia has a C3v point group symmetry. The S3 axis can be found in
ammonia, which involves a reflection combined with a one-third turn rotation. This
operation transforms the molecule into itself.
3. Methyl chloride (CH3Cl): Methyl chloride, when considering the methyl group (CH3), has
a Cs point group symmetry. The S4 axis can be found in the methyl chloride molecule,
which involves a reflection followed by a quarter-turn rotation. This operation
transforms the molecule into itself.
4. Cyclobutane (C4H8): Cyclobutane has a D2d point group symmetry. The S4 axis can be
found in cyclobutane, which involves a reflection followed by a quarter-turn rotation.
This operation transforms the molecule into itself.
5. Benzene (C6H6): Benzene has a D6h point group symmetry. The S6 axis can be found in
benzene, which involves a reflection combined with a one-sixth turn rotation. This
operation transforms the molecule into itself.
These examples demonstrate the presence of improper rotation axes (S_n) in molecules with
various point group symmetries. These axes help identify molecular symmetry and are useful in
group theory and spectroscopy for characterizing molecular properties and selection rules for
molecular transitions.

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