Weak carbonyl-methyl intermolecular interactions in acetone clusters explored by IR plus VUV spectroscopy

被引：22

作者：

Guan, Jiwen ^{[1
,2
]}

Hu, Yongjun ^{[1
,2
]}

Xie, Min ^{[1
,2
]}

Bernstein, Elliot R. ^{[3
]}

机构：

[1] S China Normal Univ, MOE Key Lab Laser Life Sci, Coll Biophoton, Guangzhou 510631, Guangdong, Peoples R China

[2] S China Normal Univ, Inst Laser Life Sci, Coll Biophoton, Guangzhou 510631, Guangdong, Peoples R China

[3] Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA

来源：

CHEMICAL PHYSICS | 2012年 / 405卷

关键词：

Acetone clusters; Gas phase; IR spectroscopy; Interactions; Structures; DFT calcualtions; VACUUM-ULTRAVIOLET-PHOTOIONIZATION; FIELD IONIZATION-PHOTOELECTRON; INFRARED-SPECTROSCOPY; DYNAMICS; SPECTRUM; DISSOCIATION; VIBRATIONS; MOLECULES; PROBE; DIMER;

D O I：

10.1016/j.chemphys.2012.06.017

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：

Size-selected IR-VUV spectroscopy is employed to detect vibrational characteristics in the region 2850 similar to 3550 cm(-1) of neutral acetone and its clusters (CH3COCH3)(n) (n = 1-4). Features around 3440 cm(-1) in the spectra of acetone monomer and its clusters are assigned to the carbonyl stretch (CO) overtone. These features red-shift from 3455 to 3433 cm(-1) as the size of the clusters increases from the monomer to the tetramer. Based on calculations, the experimental IR spectra in the C=O overtone region suggest that the dominant structures for the acetone trimer and tetramer should be cyclic in the supersonic expansion sample. This study also suggests that the carbonyl groups interact with the methyl groups in the acetone clusters. These weak interactions are further confirmed by the use of deuterium substitution. (C) 2012 Elsevier B.V. All rights reserved.

引用

页码：117 / 123

页数：7

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