MOLECULAR MECHANICS MODELING OF TRIARYLPHOSPHINE AND PHENYL ROTATION IN THE COMPOUND ETA-5-CP-ASTERISK-RHBR[P(P-TOLYL)3]PH (CP-ASTERISK = C5ME5)

被引：4

作者：

POLOWIN, J ^{[1
]}

BAIRD, MC ^{[1
]}

机构：

[1] QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA

来源：

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

关键词：

RHODIUM; MOLECULAR MECHANICS; PHENYL ROTATION; PHOSPHINE ROTATION; CYCLOPENTADIENYL; MMX;

D O I：

10.1016/0022-328X(94)88155-3

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The molecular mechanics package PCMODEL is used to calculate the global minimum structure of and the conformational energy profiles for P(p-tolyl)3 and phenyl rotation in the compound eta5-Cp(star)RhBr[P(p-tolyl)3]Ph (Cp(star) = C5Me5). The results are in good agreement with published experimental data.

引用

页码：45 / 48

页数：4

共 18 条

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