Acetylene associates (C2H2)n (n=2-4). IR-spectra in argon matrixes and quantum-chemical calculations

被引：16

作者：

Golovkin, A. V. ^{[1
]}

Davlyatshin, D. I. ^{[1
]}

Serebrennikova, A. L. ^{[1
]}

Serebrennikov, L. V. ^{[1
]}

机构：

[1] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119991, Russia

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2013年 / 1049卷

关键词：

Acetylene; IR-spectra; Inert matrix; Acetylene associate; Argon matrix; Low temperature;

D O I：

10.1016/j.molstruc.2013.06.053

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：

IR Fourier acetylene spectra were obtained in argon matrixes over a wide range of dilutions at various temperatures of gas-phase deposition. (C2H2)(n) (n = 2-4) associate bands were identified. Referring is based on studying the dynamics of spectra and quantum-chemical calculations using MP-2 and B3LYP methods with 6-311++G (d,p) and cc-pVTZ bases. (c) 2013 Elsevier B.V. All rights reserved.

引用

页码：392 / 399

页数：8

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