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Chapter 6. Thermochemistry
Drawing by Karen Thurber
To create a rabbit, the magician must summon up the energy of the rabbit
as well as some additional energy, equal to PV, to push the atmosphere out
of the way. The total enery muste
Orbitals, Slater Determinants and Basis Functions
Spin & Spatial Orbitals
orbital = single particle (electron) wave function
Spatial orbital
i(r)= function of vector r
i(r)2 dr = probability of finding the electron in the small
volume dr surrounding r

The Electronic Problem
Many Electron Wave Functions and Operators
Nonrelativistic, timeindependent Schrdinger equation
= Hamiltonian operator  nuclei (R) electrons (r)
In SI units, N electrons and M nuclei
In Atomic Units, x, y, z6 bohr
Defined such
Operators and Matrix Elements
Operators and Matrix Elements: +KL,
Start with minimal basis H2  matrix elements
Similarly,
4.1
Operators and Matrix Elements
4.2
Notation
Therefore,
oneelectron integrals (sum over spin
Can show that (exercise 2.8),
Now f
Chapter 12: Solutions and Their
Physical Properties
Dr. Chris Kozak
Memorial University of Newfoundland, Canada
Which of the following do you think is the least soluble in water?
A.
B.
C.
1
Mole Fraction and Mole Percent
=
Amount of co
Chapter 9: Chemical Bonding I:
Lewis Theory
Dr. Chris Kozak
Memorial University of Newfoundland, Canada
Lewis Theory: An Overview
Valence e play a
fundamental role in
chemical bonding.
e transfer leads to
ionic bonds.
Sharing of e leads to
covalent
Chapter 10: Chemical Bonding II
Dr. Chris Kozak
Memorial University of Newfoundland, Canada
Bonding Theories
Previously, we saw how the shapes of molecules can be predicted from
the orientation of electron domains (bonding or lonepair electrons)
around a
Chapter 11: Liquids, Solids and
Intermolecular Forces
Dr. Chris Kozak
Memorial University of Newfoundland, Canada
ATTRACTIVE FORCES
Electrostatic in nature
Intramolecular forces
bonding forces
These forces exist within each molecule.
They influence the ch
Chapter 7: Electrons in Atoms
Dr. Chris Kozak
Memorial University of Newfoundland, Canada
1
Electromagnetic Radiation
Electric and magnetic
fields propagate as waves
through empty space or
through a medium.
A wave transmits energy.
10
1
EM Radiation
Low