**Part 1** (Introduction.
Crystal Field splitting of the d-type Atomic Orbitals.
Taylor's notation)

**Part 2** (Energy Plane.
Energy Surfaces.
g-Tensor Surface)

**Part 3** (Discussion)

The properties of the tree-level model are determined by the two energy
parameters: (, *V*) or
(*A*, *B*) in Taylor's model. In particular, they determine
two-parametric wave functions (taking into account the normalization condition: *a*^{2}
+ *b*^{2} + *c*^{2} = 1). They also determine the
two-parametric set of g-values (connected by the equations in row 4 of the table
below).

All known solutions are essentially the same. They differ only in notations and the sign choice of g-values:

**Oosterhuis & Lang - Taylor - McGarvey comparison**

1 | W.T. Oosterhuis, G. Lang | C.P.S. Taylor | B.R. McGarvey |
---|---|---|---|

2 | |||

3 | |||

4 | |||

5 |

You can experiment with Taylor's solution using the programs ** TaylorABC**
and **TaylorABC2**. In TaylorABC the input parameters are *a*, *b* and *c*.
They are automatically normalized:

In TaylorABC2 the parameters (*a*, *b*, *c*) are entered via
the spherical angles:

The output parameters are the g-values and the energy parameters.

The above approach is specific to the three-level model. A general approach
starts with energy parameters. Then the wave functions are calculated. The wave
functions allow the calculation of all properties, including the g-values. This
approach is implemented in the program **gXYXZYZ**. Only the absolute values
of the g-tensor are determined.

The inverse problem is to determine the system parameters from the
experimental g-values. The program **Taylor** solves this problem. Unlike the
direct problem the solution depends on several assumptions:

- assignment signs to the values (can be based on additional information)
- assignment values to the principal axes

The method for processing massive experimental data and its implementation are discussed in the next part.

**gSurface**- interactive display of*g*,*E*^{0}and*E*.**TaylorABC**and**TaylorABC2**- one-hole Taylor's model- Description
- Download
**gXYXZYZ**- three-level model- Description
- Download
**Taylor**- inverse problem for one- hole Taylor's model- Description
- Download
**gProcess**,**gProcessFile**,**gProcessViewer**- Oosterhuis-Lang model.- Description
- Download

- B.R.McGarvey. Coordination Chemistry Reviews,
**170**(1998)75-92

Survey of ligand field parameters of strong field d5 complexes obtained from g matrix. - B.R. McGarvey. Quim. Nova,
**21**(1998) 206.

The ESR g Matrix Theory For Strong Field d5 Systems. - W.T.Oosterhuis, G.Lang. Phys.Rev.,
**178**(1969)439-456.

Mössbauer Effect in K_{3}Fe(CN)_{6} - C.P.S. Taylor. Biochimica et Biophysica Acta,
**491**(1977)137-149

The EPR of low spin heme complexes. Relation of the t_{2g}hole model to the directional properties of the g-tensor, and anew method for calculating the ligand field parameters.

**Part 5** (Experimental data processing)

Please e-mail me at nikolai@shokhirev.com |

©Nikolai Shokhirev, 2001.