Some Basic Concepts

Topics
• Atomic Structure & Wave Mechanics
• Periodic Table
• Trends from the Periodic Table
• Bonding Theories
• Molecular Structure
 Structure of the Atom
Composed of: protons
found in nucleus
• protons relative charge of +1
• neutrons relative mass of 1.0073 amu
neutrons
• electrons found in nucleus
neutral charge
relative mass of 1.0087 amu
electrons
found in electron cloud
relative charge of -1
relative mass of 0.00055 amu
 Atomic Number, Mass Number,
& Isotopes
• Atomic number, Z Nuclear Notation
– the number of protons in the nucleus
A
– the number of electrons in a neutral atom E
– the integer on the periodic table for each element Z
• Mass Number, A
– integer representing the approximate mass of an atom
– equal to the sum of the number of protons and neutrons in the
nucleus
• Isotopes
– atoms of the same element which differ in the number of neutrons in the
nucleus
– designated by mass number
 Isotopes vs. Allotropes
Isotopes - atoms of the same element with
different numbers of neutrons
Allotropes - different forms of an element
Carbon exhibits both
• Isotopes: C-12 C-13 C-14
• Allotropes: graphite, diamond, and
fullerenes
 Quantum Theory
= c
where => frequency
=> wavelength
c => speed of light
Ehi - Elo = hc/
where E => energy
h => Planck's constant
c => speed of light
=> wavelength
 Quantum Theory
For the Balmer series
= 1/ = R(1/22 - 1/n2)
where R => Rydberg constant for hydrogen,
1.097 x 107m-1
For the Lyman series
= 1/ = R(1/12 - 1/n2)
 Quantum Theory

Fig. 1.2 Part of the emission spectrum of hydrogen.

 Quantum Theory

Fig. 1.3 Transitions in hydrogen emissionspectrum.

 Bohr Model
radius
 n2h2
r = -------------
42mZe2
where
 = permittivity of a vacuum
= 8.854 x 10-12Fm-1
h = Planck constant = 6.266 X 10-34 J*sec
n = 1, 2, 3….describing a given orbit
m = electron rest mass = 9.109 X 10-31 kg
e = charge on an electron
= 1.602 X 10-19 C
 Bohr Model
energy
- 22mZe4
E = ----------------
n2 h2
where r => radius of Bohr orbit
n => principal quantum number,
which energy level
h => Planck's constant
m => mass of the electron
Z => atomic number
e => charge on the electron
 Quantum Numbers
n => principal quantum number, energy level
n = 1, 2, 3, 4, 5, 6, 7, etc.
 Quantum Numbers
l => secondary quantum number, type of
orbital
s type orbital l = 0
p type orbital l = 1
d type orbital l = 2
f type orbital l = 3
 Quantum Numbers
m => magnetic quantum number, which orbital within
sublevel
s type orbital m=0
p type orbital m = +1, 0 or -1
one value for each of the three p orbitals
d type orbital m = +2, +1, 0, -1 or -2
one value for each of the five d orbitals
f type orbital m = +3, +2, +1, 0, -1, -2 or -3
one value for each of the seven f orbitals
s- and p-orbitals
d-orbitals
f-orbitals
Periodic Table
Ground state electronic
configurations
MO Diagrams for H2
More MO Diagrams
Molecule Orbitals for p- atomic orbitals
General MO Diagram
 Trends from the Periodic Table
electronegativity
1932 Pauling- based on bond energies
1934 Mulliken- based on the average of the
first ionization energy and its electron affinity
1958 Allred & Rochow- based in terms of
electrostatic force operating on valence
electrons due to the effective nuclear charge
1962 Jaffe- modification of Mulliken scale
based on differences in kinds of bonding
 Electronegativity
Pauling Scale
• relative attraction of an atom for electrons,
its own and those of other atoms
• same trends as ionization energy, increases
from lower left corner to the upper right
corner
• fluorine: E.N. = 4.0
Orbital Overlap
MO Diagram of XY
MO Diagram of HF
Simplified MO Diagram of CO
More Rigorous Diagram of CO
VSEPR Theory
VSEPR Theory
ClF3
Geometric Isomerism:
Fac vs. Mer