5.04, Principles of Inorganic Chemistry II
Prof. Daniel G. Nocera
Lecture 3: Irreducible Representations and Character Tables
Similarity transformations yield irreducible representations, i, which lead to the
useful tool in group theory the character tabl
5.04, Principles of Inorganic Chemistry II
Prof. Daniel G. Nocera
Lecture 4: Molecular Point Groups 1
The symmetry properties of molecules (i.e. the atoms of a molecule form a basis
set) are described by point groups, since all the symmetry elements in a
5.04, Principles of Inorganic Chemistry II
Prof. Daniel G. Nocera
Lecture 2: Operator Properties and Mathematical Groups
The inverse of A (defined as (A)1) is B if A B = E
For each of the five symmetry operations:
(E)1 = E
(E)1 E = E E = E
()1 =
()1 = =
5.04, Principles of Inorganic Chemistry II
Prof. Daniel G. Nocera
Lecture 7: Hckel Theory 2 (Eigenvalues)
The energies (eigenvalues) may be determined by using the Hckel approximation.
A1g =
1
6
( 1
+ 2 + 3 + 4 + 5 + 6 )
E A1g =
A1g H A1gd =
A1g | H
5.04, Principles of Inorganic Chemistry II
Prof. Daniel G. Nocera
Lecture 1: Symmetry Elements and Operations
Consider the symmetry properties of an object (e.g. atoms of a molecule, set of
orbitals, vibrations). The collection of objects is commonly refe
5.04, Principles of Inorganic Chemistry II
Prof. Daniel G. Nocera
Lecture 14: Angular Overlap Method (AOM) for ML for MLn Ligand Fields
The Wolfsberg-Hemholtz approximation (Lecture 10) provided the LCAO-MO energy
between metal and ligand to be,
2
=
EM S
5.04, Principles of Inorganic Chemistry II
Prof. Daniel G. Nocera
Lecture 6: LCAO and Hckel Theory 1 (Eigenfunctions)
A common approximation employed in the construction of molecular orbitals (MOs)
is the linear combination of atomic orbitals (LCAOs). In
5.04, Principles of Inorganic Chemistry II
Prof. Daniel G. Nocera
Lecture 10: General Electronic Considerations of Metal-Ligand Complexes
Metal complexes are Lewis acid-base adducts formed between metal ions (the acid)
and ligands (the base).
The interact
5.04, Principles of Inorganic Chemistry II
Prof. Daniel G. Nocera
Lecture 8: N-Dimensional Cyclic Systems
This lecture will provide a derivation of the LCAO eigenfunctions and eigenvalues of
N total number of orbitals in a cyclic arrangement. The problem
5.04, Principles of Inorganic Chemistry II
Prof. Daniel G. Nocera
Lecture 5: Molecular Point Groups 2
The D point groups are distiguished from C point groups by the presence of rotation
axes that are perpindicular to the principal axis of rotation.
Dn : C
5.04, Principles of Inorganic Chemistry II
Prof. Daniel G. Nocera
Lecture 13: Octahedral ML6 Complexes
The basis set needs to be expanded for metal complexes with ligands containing
orbitals. An appropriate basis for ligands with two orthogonal orbitals,