Electronic Structure of Square-Planar Transition Metal Complexes. II. Zeise's Anion, [Pt(C2H4)Cl3]

N. Rösch; K. H. Johnson; R. P. Messmer

doi:10.1021/ja00819a025

Electronic Structure of Square-Planar Transition Metal Complexes. II. Zeise's Anion, [Pt(C₂H₄)Cl₃]

N. Rösch, K. H. Johnson, R. P. Messmer

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93 Scopus citations

Abstract

The self-consistent-field-scattered wave (SCF-Xα-SW) method is used to calculate the electronic structure of Zeise's anion. The resultant description of the Pt-ethylene bonding is found to be somewhat more complex than the simple Dewar-Chatt model. The σ-bonding components are found to be considerably more important than π back-bonding. Optical transitions have been calculated and found to be in agreement with the peak positions of the experimental spectrum. Some aspects of the photochemistry are also briefly discussed on the basis of the calculations presented.

Original language	English
Pages (from-to)	3855-3860
Number of pages	6
Journal	Journal of the American Chemical Society
Volume	96
Issue number	12
DOIs	https://doi.org/10.1021/ja00819a025
State	Published - 1 Jun 1974
Externally published	Yes

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abstract = "The self-consistent-field-scattered wave (SCF-Xα-SW) method is used to calculate the electronic structure of Zeise's anion. The resultant description of the Pt-ethylene bonding is found to be somewhat more complex than the simple Dewar-Chatt model. The σ-bonding components are found to be considerably more important than π back-bonding. Optical transitions have been calculated and found to be in agreement with the peak positions of the experimental spectrum. Some aspects of the photochemistry are also briefly discussed on the basis of the calculations presented.",

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AU - Messmer, R. P.

PY - 1974/6/1

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N2 - The self-consistent-field-scattered wave (SCF-Xα-SW) method is used to calculate the electronic structure of Zeise's anion. The resultant description of the Pt-ethylene bonding is found to be somewhat more complex than the simple Dewar-Chatt model. The σ-bonding components are found to be considerably more important than π back-bonding. Optical transitions have been calculated and found to be in agreement with the peak positions of the experimental spectrum. Some aspects of the photochemistry are also briefly discussed on the basis of the calculations presented.

AB - The self-consistent-field-scattered wave (SCF-Xα-SW) method is used to calculate the electronic structure of Zeise's anion. The resultant description of the Pt-ethylene bonding is found to be somewhat more complex than the simple Dewar-Chatt model. The σ-bonding components are found to be considerably more important than π back-bonding. Optical transitions have been calculated and found to be in agreement with the peak positions of the experimental spectrum. Some aspects of the photochemistry are also briefly discussed on the basis of the calculations presented.

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Electronic Structure of Square-Planar Transition Metal Complexes. II. Zeise's Anion, [Pt(C₂H₄)Cl₃]

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