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Chapter 1 - Basic Concepts: Atoms: Prerequisite Knowledge
Chapter 1 - Basic Concepts: Atoms: Prerequisite Knowledge
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Symbol P+ e- n0
Mass (amu) 1.00732 0.000549 1.00870
Discovery 1919, Rutherford 1897, Thomson 1932, Chadwick
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Atomic and Mass Numbers
Mass number
Symbol
12
C
6
Atomic number
(optional)
Isotopes of Hydrogen
+ + +
3
Ru S8
Allotropes
element's atoms are bonded together in a different manner
4
Successes in early quantum theory
1 1 1
= = R 2 2
n n '
where R is the
Rydberg constant for
H, 1.097105 cm-1
5
Wave Nature of Matter
h where h is Plancks
= mv constant,
6.62610-34 Js
Uncertainty Principle
h
(x) (mv)
4
6
Definition of the polar coordinates (r, , )
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Atomic Orbitals
A wavefunction is a mathematical function that contains detailed
information about the behavior of an electron. An atomic
wavefunction consists of a radial component R(r), and an angular
component A(,). The region of space defined by a wavefunction is
called an atomic orbital.
1s 2s
Plot of the radial part of the wavefunction against distance (r) from the nucleus
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Plots of radial parts of the
wavefunction R(r) against r for the
2p, 3p, 4p and 3d atomic orbitals
ns orbitals have (n-1 radial nodes), np orbitals have (n-2 radial nodes),
nd orbitals have (n-3 radial nodes), nf orbitals have (n-4 radial nodes).
d = 1
2
* d = 1
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Radial distribution
functions, 4r2R(r)2,
for the 3s, 3p and 3d
atomic orbitals of the
hydrogen atom
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Representations of an s and a set of three degenerate p atomic orbitals.
11
Radial probability functions
Probability density
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Orbitals energies in hydrogen-like species
kZ 2
E= 2 k = 1.312103 kJ mol-1
n Z = atomic number
n =2 E 2s 2p
n =1 1s
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Angular momentum, the inner quantum number, j, spin-orbit coupling
ml = 0 0 6 (h / 2 )
Resultant
magnetic
moment ml = -1 )
-(h/2
6 (h / 2 )
ml = -2 )
-2(h/2
6 (h / 2 )
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Ground State Electronic Configurations
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Penetration and shielding
Radial distribution functions, 4r2 R(r)2, for the 1s, 2s and 2p atomic orbitals of H.
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The aufbau principle
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Ionization Energy
Ionization Energy
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Electron Affinity
Electron affinity is
defined as minus the
change in internal
energy for the gain of
an electron by a
gaseous atom.
EA = -U(0K)
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