Experimental and theoretical studies of correlated rotation in tris(ortho-tolyl) derivatives of P, As and Si

James A.S. Howell; Michael G. Palin; Paul C. Yates; Patrick McArdle; Desmond Cunningham; Zeev Goldschmidt; Hugo E. Gottlieb; Dafna Hezroni-Langerman

doi:10.1039/p29920001769

Experimental and theoretical studies of correlated rotation in tris(ortho-tolyl) derivatives of P, As and Si

James A.S. Howell
, Michael G. Palin
, Paul C. Yates
, Patrick McArdle
, Desmond Cunningham
, Zeev Goldschmidt
, Hugo E. Gottlieb
, Dafna Hezroni-Langerman

University of Keele
University of Galway
Bar-Ilan University

Research output: Contribution to a Journal (Peer & Non Peer) › Article › peer-review

34 Citations (Scopus)

Abstract

Variable temperature NMR studies have established equilibrium constants and/or activation parameters for the exo₂ ↔ exo₃ equilibrium in the series M(o-tolyl)₃ (M = P, As), XM (o-tolyl)₃ (M = P, X = O, S, Se; M = As, X = O, S) and [MeM(o-tolyl)₃]ⁿ⁺ (n = 0, M = Si; n = 1, M = P, As). The crystal structure of OAs(o-tolyl)₃H₂O is reported. Molecular mechanics studies of P(o-tolyl)₃ reproduce correctly the ground state exo3 conformation and provide an analysis of the lowest energy two-ring flip exchange mechanism.

Original language	English
Pages (from-to)	1769-1775
Number of pages	7
Journal	Journal of the Chemical Society. Perkin Transactions 2
Issue number	10
DOIs	https://doi.org/10.1039/p29920001769
Publication status	Published - 1992
Externally published	Yes

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title = "Experimental and theoretical studies of correlated rotation in tris(ortho-tolyl) derivatives of P, As and Si",

abstract = "Variable temperature NMR studies have established equilibrium constants and/or activation parameters for the exo2 ↔ exo3 equilibrium in the series M(o-tolyl)3 (M = P, As), XM (o-tolyl)3 (M = P, X = O, S, Se; M = As, X = O, S) and [MeM(o-tolyl)3]n+ (n = 0, M = Si; n = 1, M = P, As). The crystal structure of OAs(o-tolyl)3H2O is reported. Molecular mechanics studies of P(o-tolyl)3 reproduce correctly the ground state exo3 conformation and provide an analysis of the lowest energy two-ring flip exchange mechanism.",

author = "Howell, \{James A.S.\} and Palin, \{Michael G.\} and Yates, \{Paul C.\} and Patrick McArdle and Desmond Cunningham and Zeev Goldschmidt and Gottlieb, \{Hugo E.\} and Dafna Hezroni-Langerman",

year = "1992",

doi = "10.1039/p29920001769",

language = "English",

pages = "1769--1775",

journal = "Journal of the Chemical Society. Perkin Transactions 2",

issn = "1472-779X",

publisher = "Chemical Society",

number = "10",

}

TY - JOUR

T1 - Experimental and theoretical studies of correlated rotation in tris(ortho-tolyl) derivatives of P, As and Si

AU - Howell, James A.S.

AU - Palin, Michael G.

AU - Yates, Paul C.

AU - McArdle, Patrick

AU - Cunningham, Desmond

AU - Goldschmidt, Zeev

AU - Gottlieb, Hugo E.

AU - Hezroni-Langerman, Dafna

PY - 1992

Y1 - 1992

N2 - Variable temperature NMR studies have established equilibrium constants and/or activation parameters for the exo2 ↔ exo3 equilibrium in the series M(o-tolyl)3 (M = P, As), XM (o-tolyl)3 (M = P, X = O, S, Se; M = As, X = O, S) and [MeM(o-tolyl)3]n+ (n = 0, M = Si; n = 1, M = P, As). The crystal structure of OAs(o-tolyl)3H2O is reported. Molecular mechanics studies of P(o-tolyl)3 reproduce correctly the ground state exo3 conformation and provide an analysis of the lowest energy two-ring flip exchange mechanism.

AB - Variable temperature NMR studies have established equilibrium constants and/or activation parameters for the exo2 ↔ exo3 equilibrium in the series M(o-tolyl)3 (M = P, As), XM (o-tolyl)3 (M = P, X = O, S, Se; M = As, X = O, S) and [MeM(o-tolyl)3]n+ (n = 0, M = Si; n = 1, M = P, As). The crystal structure of OAs(o-tolyl)3H2O is reported. Molecular mechanics studies of P(o-tolyl)3 reproduce correctly the ground state exo3 conformation and provide an analysis of the lowest energy two-ring flip exchange mechanism.

UR - https://www.scopus.com/pages/publications/37049068644

U2 - 10.1039/p29920001769

DO - 10.1039/p29920001769

M3 - Article

SN - 1472-779X

SP - 1769

EP - 1775

JO - Journal of the Chemical Society. Perkin Transactions 2

JF - Journal of the Chemical Society. Perkin Transactions 2

IS - 10

ER -

Experimental and theoretical studies of correlated rotation in tris(ortho-tolyl) derivatives of P, As and Si

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