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KI2141-2011-Molecular Symmetry 2013 11 29
KI2141-2011-Molecular Symmetry 2013 11 29
Contents
What and Why?
The symmetry elements and operations
The symmetry classification
Consequences of symmetry
Linear algebra in symmetry
Group representation and character tables
Molecular Symmetry
What is symmetry ?
Molecular symmetry
Molecular Symmetry
Molecular Symmetry
Molecular Symmetry
Molecular Symmetry
Molecular Symmetry
Symmetry Elements
Symmetry Operations
Molecular Symmetry
Symmetry Elements
Elements
Symbol Operation
Identity
N-fold proper
axis
Cn
Plane
Reflexion in plane
Inversion
center
N-fold
improper axis
Sn
Molecular Symmetry
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Molecular Symmetry
Molecular Symmetry
Molecular Symmetry
(a) An NH3 molecule has a threefold (C3) axis and (b) H2O molecule has a
twofold (C2) axis.
Symmetry modeling : http://www.ch.ic.ac.uk/local/symmetry/
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Molecular Symmetry
Successive rotations
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Molecular Symmetry
Molecular Symmetry
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Molecular Symmetry
Molecular Symmetry
Molecular Symmetry
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Molecular Symmetry
Molecular Symmetry
Molecular Symmetry
The rotation like Cn, where the molecule is rotate around the
axis.
Reflection through a plane perpendicular to the axis of that
rotation,
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Molecular Symmetry
(a) A CH4 molecule has a fourfold improper rotation axis (S4); the
molecule is indistinguishable after a 90 rotation followed by a
reflection across the horizontal plane, (b) The staggered form of
ethane has an S6 axis composed of a 60 rotation followed by a
reflections.
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Molecular Symmetry
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Molecular Symmetry
Molecular Symmetry
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Molecular Symmetry
Group Theory
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Group C1 Ci Cs
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
Group S2n
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Molecular Symmetry
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Molecular Symmetry
(a) T
(b) O
(a) Th
(c) I
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
Exercise 1
D5h
D5d
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Molecular Symmetry
Consequences of symmetry
Polarity
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Molecular Symmetry
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Molecular Symmetry
Consequences of symmetry
Chirality
Molecular Symmetry
Some symmetry
elements are implied by
the other symmetry
elements in a group.
Any molecule
containing an inversion
also possesses at least
an S2 element because i
and S2 are equivalent
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Molecular Symmetry
S4
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Molecular Symmetry
Exercise 2
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
C2 operation
v(xz) operation
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Molecular Symmetry
C2 v(xz) operation
C2 C 2 = E
v(xz) v(yz) = C2
v(yz) v(yz) = E
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Molecular Symmetry
Characters
The character, defined only for a square matrix, is the trace of the
matrix, or the sum of the numbers on the diagonal from upper left
to lower right. For the C2v point group, we can obtained the
following characters:
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Molecular Symmetry
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Molecular Symmetry
Character tables
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Molecular Symmetry
Also
h = i (E)
i
60
Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
Transformation matrices
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Molecular Symmetry
Transformation matrices
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
Symmetric
Antisymmetric
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disymmetric
Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
Molecular Symmetry
Degree of freedom
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Molecular Symmetry
Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
IR Spectra of H2O
Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
a1
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b2
Molecular Symmetry
summation
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Molecular Symmetry
Normalization
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry
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Molecular Symmetry