Generation of [1,2-(CH2)2C5Me3MC5Me4CH2-1′]3+ (M = Ru, Os) trications and determination of their structures by comparing NMR-spectra with density-functional method calculations

被引：8

作者：

Borisov, YA ^{[1
]}

Rybinskaya, MI ^{[1
]}

Nekrasov, YS ^{[1
]}

Kreindlin, AZ ^{[1
]}

Kamyshova, AA ^{[1
]}

Petrovskii, PV ^{[1
]}

机构：

[1] Russian Acad Sci, AN Nesmeyanov Organoelement Cpds Inst, Moscow 119991, Russia

来源：

JOURNAL OF ORGANOMETALLIC CHEMISTRY | 2002年 / 645卷 / 1-2期

关键词：

monocations; dications; trications; generation of trications; metallonium cations; ruthenium; osmium; NMR-spectra; calculations by ab initio density-functional method;

D O I：

10.1016/S0022-328X(01)01234-7

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A general method for generating [1,2-(CH2),C5Me3MC5Me4CH2](3+) trications, where M = Ru (4a) and Os (4b), from the salts of monocations [C5Me5MC5Me4CH2](+) An(-) (1a,b, An(-) = BF4) by the action of dioxygen in a solution CF3SO3H superacid is presented. The energy characteristics of 4a and 4b have been calculated. NMR-spectra have been registered and analyzed. Conclusions received from NMR data for solutions of trications were compared with DFT calculation results of them in the gaseous phase. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：87 / 93

页数：7

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