Theoretical comparison of the "slip" distortion and rotational barriers in comparable seven and twelve vertex carbaplatinaboranes

Maria J. Calhorda; D. Michael P. Mingos; Alan J. Welch

doi:10.1016/S0022-328X(00)84332-6

Theoretical comparison of the "slip" distortion and rotational barriers in comparable seven and twelve vertex carbaplatinaboranes

Maria J. Calhorda^*, D. Michael P. Mingos, Alan J. Welch

^*Corresponding author for this work

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

34 Citations (Scopus)

Abstract

Extended Hückel molecular orbital calculations on the related closo-platinaboranes [(H₃P)₂Pt(B₁₁H₁₁)]^2- and [(H₃Pt₂Pt(B₆H₆)]^2- and the closo-carbaplatinaboranes [(H₃P)₂Pt(C₂B₉H₁₁)] and [(H₃P)₂Pt(C₂B₄H₆)] have suggested that the larger "slip" distortions in the pentagonal bipyramidal derivatives can be attributed in large measure to the different metal-ligand interactions which are induced by the different elevation angles of the substituents on the pentagonal faces of the ligands. Differences in bond lengths associated with the two classes of carbaplatinaboranes have been interpreted in terms of the different bonding capabilities of the two types of carbaborane ligands.

Original language	English
Pages (from-to)	309-320
Number of pages	12
Journal	Journal of Organometallic Chemistry
Volume	228
Issue number	3
DOIs	https://doi.org/10.1016/S0022-328X(00)84332-6
Publication status	Published - 6 Apr 1982

ASJC Scopus subject areas

Biochemistry
Physical and Theoretical Chemistry
Organic Chemistry
Inorganic Chemistry
Materials Chemistry

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10.1016/S0022-328X(00)84332-6

Cite this

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title = "Theoretical comparison of the {"}slip{"} distortion and rotational barriers in comparable seven and twelve vertex carbaplatinaboranes",

abstract = "Extended H{\"u}ckel molecular orbital calculations on the related closo-platinaboranes [(H3P)2Pt(B11H11)]2- and [(H3Pt2Pt(B6H6)]2- and the closo-carbaplatinaboranes [(H3P)2Pt(C2B9H11)] and [(H3P)2Pt(C2B4H6)] have suggested that the larger {"}slip{"} distortions in the pentagonal bipyramidal derivatives can be attributed in large measure to the different metal-ligand interactions which are induced by the different elevation angles of the substituents on the pentagonal faces of the ligands. Differences in bond lengths associated with the two classes of carbaplatinaboranes have been interpreted in terms of the different bonding capabilities of the two types of carbaborane ligands.",

author = "Calhorda, {Maria J.} and Mingos, {D. Michael P.} and Welch, {Alan J.}",

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T1 - Theoretical comparison of the "slip" distortion and rotational barriers in comparable seven and twelve vertex carbaplatinaboranes

AU - Calhorda, Maria J.

AU - Mingos, D. Michael P.

AU - Welch, Alan J.

PY - 1982/4/6

Y1 - 1982/4/6

N2 - Extended Hückel molecular orbital calculations on the related closo-platinaboranes [(H3P)2Pt(B11H11)]2- and [(H3Pt2Pt(B6H6)]2- and the closo-carbaplatinaboranes [(H3P)2Pt(C2B9H11)] and [(H3P)2Pt(C2B4H6)] have suggested that the larger "slip" distortions in the pentagonal bipyramidal derivatives can be attributed in large measure to the different metal-ligand interactions which are induced by the different elevation angles of the substituents on the pentagonal faces of the ligands. Differences in bond lengths associated with the two classes of carbaplatinaboranes have been interpreted in terms of the different bonding capabilities of the two types of carbaborane ligands.

AB - Extended Hückel molecular orbital calculations on the related closo-platinaboranes [(H3P)2Pt(B11H11)]2- and [(H3Pt2Pt(B6H6)]2- and the closo-carbaplatinaboranes [(H3P)2Pt(C2B9H11)] and [(H3P)2Pt(C2B4H6)] have suggested that the larger "slip" distortions in the pentagonal bipyramidal derivatives can be attributed in large measure to the different metal-ligand interactions which are induced by the different elevation angles of the substituents on the pentagonal faces of the ligands. Differences in bond lengths associated with the two classes of carbaplatinaboranes have been interpreted in terms of the different bonding capabilities of the two types of carbaborane ligands.

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Theoretical comparison of the "slip" distortion and rotational barriers in comparable seven and twelve vertex carbaplatinaboranes

Abstract

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