SOLID ANGLES .1. THE RADIAL PROFILE

被引：35

作者：

WHITE, D

TAVENER, BC

LEACH, PGL

COVILLE, NJ

机构：

[1] UNIV WITWATERSRAND,DEPT CHEM,JOHANNESBURG 2050,SOUTH AFRICA

[2] UNIV NATAL,DEPT MATH & APPL MATH,DURBAN 4001,SOUTH AFRICA

来源：

JOURNAL OF ORGANOMETALLIC CHEMISTRY | 1994年 / 478卷 / 1-2期

关键词：

SOLID ANGLES; CONE ANGLES; LIGAND SIZE; RADIAL PROFILE; STERIC MEASUREMENT;

D O I：

10.1016/0022-328X(94)88173-1

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The use of solid angles (OMEGA) has been extended to the calculation of the solid angle of a region of an atom or groups of atoms (e.g. ligands) as a function of distance from a common apex (e.g. a metal). This methodology permits the evaluation of a second dimension when describing the 'size' of a molecule as measured by cone or solid angles. This new measure is referred to as a radial profile. Radial profiles for some common ligands (e.g. 2,6-Me2C6H3NC, (t)BuNC, P(OMe)3, PPh3 etc.) have been determined. A comparison of two radial profiles, corresponding to two ligands, permits a qualitative evaluation of the position of steric interaction between the two ligands.

引用

页码：205 / 211

页数：7

共 20 条

[1] THE OMEGA-S CONSTANT FOR POLAR SUBSTITUENTS - REINVESTIGATION ON THE SEPARATION OF THE STERIC AND THE POLAR EFFECTS [J].