Mode assignment of vibrational bands of 2-furoic acid in the terahertz frequency region

被引：25
|
作者：
Kambara, Ohki [1 ]
Tominaga, Keisuke [1 ]
Nishizawa, Jun-ichi [2 ]
Sasaki, Tetsuo [2 ]
Wang, Houng-Wei [3 ]
Hayashi, Michitoshi [3 ]
机构：
[1] Kobe Univ, Mol Photosci Res Ctr, Kobe, Hyogo 6578501, Japan
[2] Sophia Univ, Semicond Res Ctr, Tokyo 1028554, Japan
[3] Natl Taiwan Univ, Ctr Condensed Matter Sci, Taipei 10617, Taiwan
来源：
CHEMICAL PHYSICS LETTERS | 2010年 / 498卷 / 1-3期
关键词：
DENSITY-FUNCTIONAL THEORY; HYDROGEN-BONDS; SPECTROSCOPY; SPECTRUM; SYSTEMS;
D O I：
10.1016/j.cplett.2010.08.047
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 vibrational modes of 2-furoic acid, a model hydrogen-bonding molecule, are assigned in the terahertz frequency region by terahertz transmittance spectroscopy of normal and deuterated crystalline forms of 2-furoic acid at 5 K and by density functional theory calculations incorporating periodic crystal structures. (C) 2010 Elsevier B.V. All rights reserved.
引用
收藏
页码：86 / 89
页数：4
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