SOLVATION OF AN ACETONITRILE MOLECULE IN BENZENE STUDIED BY H-1 AND C-13 NMR CHEMICAL-SHIFTS AND ABINITIO SCF CALCULATIONS

被引：4

作者：

JACKOWSKI, K

机构：

[1] Laboratory of Intermolecular Interactions, Chemistry Department, University of Warsaw, 02-093 Warszawa

来源：

JOURNAL OF MOLECULAR LIQUIDS | 1990年 / 45卷 / 1-2期

关键词：

D O I：

10.1016/0167-7322(90)80020-K

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A single acetonitrile molecule is solvated by four benzene molecules. Quantum-chemical calculations show three models of such solvation. Each model gives similar anisotropy effects in the 1H and 113C NMR chemical shifts of an acetonitrile molecule. © 1990.

引用

页码：109 / 113

页数：5

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