Three-Dimensional Spectrochemical Series


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Interactive Three-Dimensional Plot

Ligand Field Splitting (Delta) (eV)
Metal-Ligand Distance (A)

calculated by Ryo MATSUSHIMA.


Table of Ligand Field Splitting (Delta) (eV)
and Metal-Ligand Distance (A)


CSD Reference Code


Table 1. Metal Series No.

1
2
3
4
5
Mn2+
Ni2+
Co2+
Fe2+
V2+
6
7
8
9
10
Fe3+
Cr3+
V3+
Co3+
Mn4+
11
12
13
14
15
Mo3+
Rh3+
Ru3+
Pd4+
Ir3+
16
17
Re4+
Pt4+

Table 2. Ligand Series No.

1
2
3
4
5
I-
Br-
S2-
SCN-
Cl-
6
7
8
9
10
N3-
F-
S2O32-
OCOR-
OCO22-
11
12
13
14
15
OH-
OCHO-
OSO32-
ONO2-
ox2-
16
17
18
19
20
H2O
NCS-
ONO-
CH3CN
py
21
22
23
24
25
NH3
en
bpy
phen
SO32-
26
27
28
29
NO2-
PPh3
CN-
CO

Reference

1. Tomohiko Ishii, Kazuyoshi Ogasawara, and Genta Sakane, "Exploring Spin States and Ligand Field Splitting in Metal Complexes: a Theoretical Analysis of Spin-Orbital Interactions and Magnetic Properties", Dalton Trans., 53, 7175-7189 (2024). https://doi.org/10.1039/D4DT00329B

2. Tomohiko Ishii, Shino Tsuboi, Genta Sakane, Masahiro Yamashita and Brian K. Breedlove, "Universal Spectrochemical Series of Six-Coordinate Octahedral Metal Complexes for Modifying the Ligand Field Splitting", Dalton Trans., 4, 680-687 (2009). https://doi.org/10.1039/B810590A