Conformational analysis of N-methylpyrrolidine betaine hydrochloride by X-ray diffraction and ab initio calculations

被引：8

作者：

Dega-Szafran, Z ^{[1
]}

Ratajczak-Sitarz, M ^{[1
]}

Prawniczak, L ^{[1
]}

Kosturkiewicz, Z ^{[1
]}

Koput, J ^{[1
]}

Szafran, M ^{[1
]}

机构：

[1] Adam Mickiewicz Univ, Fac Chem, PL-60780 Poznan, Poland

来源：

JOURNAL OF CHEMICAL RESEARCH | 1998年 / 06期

关键词：

D O I：

10.1039/a708102b

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The structure of the title compound in the solid state and its five most stable conformers in the gas phase have been analysed by X-ray diffraction, and by MP2/6-31G(d,p) and BLYP/6-31G(d,p) calculations, respectively.

引用

页码：296 / +

页数：2

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