Molecular Orbital Theory for Square-Planar Metal Halide Complexes

Harold Basch; Harry B. Gray

doi:10.1021/ic50048a038

Molecular Orbital Theory for Square-Planar Metal Halide Complexes

Harold Basch, Harry B. Gray

Columbia University

Research output: Contribution to journal › Article › peer-review

115 Scopus citations

Abstract

The electronic spectra of the square-planar chloride complexes are assigned using molecular orbital levels derived by the SCCC-MO method. The d-orbital ordering x² — y² > xy > xz,yz > z² is calculated for the planar tetrahalides, and values derived from observed spectral band energies are given for the ligand field parameters Δ₁, Δ₂, and Δ₃. The apparent decrease in Ai values with increasing oxidation numbers is discussed in terms of the high covalent character of these complexes.

Original language	English
Pages (from-to)	365-369
Number of pages	5
Journal	Inorganic Chemistry
Volume	6
Issue number	2
DOIs	https://doi.org/10.1021/ic50048a038
State	Published - 1 Feb 1967
Externally published	Yes

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abstract = "The electronic spectra of the square-planar chloride complexes are assigned using molecular orbital levels derived by the SCCC-MO method. The d-orbital ordering x2 — y2 > xy > xz,yz > z2 is calculated for the planar tetrahalides, and values derived from observed spectral band energies are given for the ligand field parameters Δ1, Δ2, and Δ3. The apparent decrease in Ai values with increasing oxidation numbers is discussed in terms of the high covalent character of these complexes.",

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N2 - The electronic spectra of the square-planar chloride complexes are assigned using molecular orbital levels derived by the SCCC-MO method. The d-orbital ordering x2 — y2 > xy > xz,yz > z2 is calculated for the planar tetrahalides, and values derived from observed spectral band energies are given for the ligand field parameters Δ1, Δ2, and Δ3. The apparent decrease in Ai values with increasing oxidation numbers is discussed in terms of the high covalent character of these complexes.

AB - The electronic spectra of the square-planar chloride complexes are assigned using molecular orbital levels derived by the SCCC-MO method. The d-orbital ordering x2 — y2 > xy > xz,yz > z2 is calculated for the planar tetrahalides, and values derived from observed spectral band energies are given for the ligand field parameters Δ1, Δ2, and Δ3. The apparent decrease in Ai values with increasing oxidation numbers is discussed in terms of the high covalent character of these complexes.

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Molecular Orbital Theory for Square-Planar Metal Halide Complexes

Abstract

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