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

被引：15
|
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.
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页码：392 / 399
页数：8
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