Molecular structure and infrared spectra of dimethyl oxalate

文献情報

出版日 2002-02-04

DOI 10.1039/B107232N

インパクトファクター 3.676

著者

Susy Branco Lopes, Leszek Lapinski, Rui Fausto

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要旨

Infrared spectra of dimethyl oxalate isolated in low-temperature argon matrix and of the compound in the solid amorphous and crystalline state are reported. The experimental observations are interpreted in terms of a large amplitude, low frequency vibration along the torsional coordinate OC–CO. Assumption of the large amplitude vibration allows consistent explanation of the spectra observed in matrixes and in the gas phase, and the differences between these and the spectrum of the compound in the crystalline state, in which the planar trans structure is fixed. IR spectra of crystalline dimethyl oxalate clearly show that in the relaxed crystal lattice only the trans form is populated. Davydov splitting, due to the presence of two molecules per unit cell, was observed for several bands in the IR spectrum of the crystalline compound.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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