Experimental (UV-Raman) and theoretical (DFT) study of pyridine carboxylic acid in aqueous solution

被引：11

作者：

Wang, LR ^{[1
]}

Fang, Y ^{[1
]}

机构：

[1] Capital Normal Univ, Beijing Key Lab Nanophoton & Nanostruct, Dept Phys, Beijing 100037, Peoples R China

来源：

CHEMICAL PHYSICS | 2006年 / 323卷 / 2-3期

关键词：

ultraviolet (UV) Raman spectrum; pyridine carboxylic acid (Nicotinic acid and isonicotinic acid); density functional theory (DFT); calculated Raman frequencies;

D O I：

10.1016/j.chemphys.2005.10.001

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：

High quality Raman spectrum of pyridine carboxylic acid in aqueous solution under ultraviolet (UV) excitation at 325 nm was obtained. Some conspicuous changes of UV-Raman spectra accompanied with the pH variation indicate the different molecule structure. Theoretical calculated Raman frequencies based on density functional theory (DFT) reveals well the different states of pyridine carboxylic acid in aqueous solution. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：376 / 382

页数：7

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