The calculation of absorption curves in the IR spectra of free and associated methyl-N-methylcarbamate molecules

被引：8

作者：

Kuznetsova, LM

Furer, VL

Maklakov, LI

机构：

[1] Kazan Stt. Architect Civ. Eng. Acad., Kazan 420043, Zelenaya

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1997年 / 415卷 / 1-2期

关键词：

hydrogen bonding; IR spectroscopy; methyl-N-methylcarbamate; force field; band intensities;

D O I：

10.1016/S0022-2860(97)00078-1

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：

The IR spectra of methyl-N-methylcarbamate solutions were studied. Force and electro-optical parameters of H-bonded associates were calculated. The experimental IR spectra were compared with theoretical ones for isolated and associated molecules. The dependence of the IR spectra on the number of H-bonded molecules was investigated. The absorption curves of associates with a different structure were compared. (C) 1997 Elsevier Science B.V.

引用

页码：157 / 160

页数：4

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