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Values of f and g for estimating Δo (10 Dqo), and of h and k for estimating β

Ligand
f
h
Metal ion
g, cm-1
k
Br-
0.72
2.3
Mn2+
8,000
0.07
-SCN-
0.75
-
Ni2+
8,700
0.12
Cl-
0.78
2.0
Co2+
9,000
0.09
OPCl3
0.82
-
V2+
12,000
0.08
N3-
0.83
-
Fe3+
14,000
0.24
F-
0.9
0.8
Cu3+
15,700
-
OSMe3-
0.91
-
Cr3+
17,400
0.21
OCMe2
0.92
1.2
Co3+
18,200
0.35
EtOH
0.97
-
Ru2+
20,000
-
Me2NCHO
0.98
-
Ag3+
20,400
-
C2O42-
0.99
1.5
Ni4+
22,000
-
H2O
1.00
1.0
Mn4+
24,000
0.5
SC(NH2)2
1.01
-
Mo3+
24,600
0.15
-NCS-
1.02
-
Rh3+
27,000
0.30
-NCSe-
1.03
-
Mn2+
8,000
0.07
-NH2CH2CO2--
1.18
-
Tc4+
31,000
-
CH3CN
1.22
-
Ir3+
8,000
0.3
C5H5
1.23
-
Pt4+
36,000
0.5
NH3
1.25
1.4
Fe2+
8,500
0.08
en
1.28
1.5
-
-
-
-SO32-
1.2
-
-
-
-
diars
1.33
-
-
-
-
bipy
1.33
-
-
-
-
-NO2-
1.4
-
-
-
-
CN-
1.7
2.0
-
-
-


From C. K. Jorgensen, "Modern Aspects of Ligand Field Theory," American Elsevier, NY (1971) pp 347-348 and C. K. Jorgensen, "Absorption Spectra and Chemical Bonding in Complexes," Pergamon, Oxford (1962) p. 113.

The reduced Racah parameter, β may be calculated by the equation below:

β = 1 - hk


Once β has been calculated it can be used to calculate Bcomplex using the formula below:

Bcomplex = βBfree ion


A table of Bfree ion values appears below:

Free ion values of B for transition metal ions (in cm-1)

Metal
M2+
M3+
Ti
695
-
V
755
861
Cr
810
918
Mn
860
965
Fe
917
1015
Co
971
1065
Ni
1030
1115


From William L. Jolly, "Modern Inorganic Chemistry," McGraw-Hill Book Co., NY (1989) p 411.