An experimental and theoretical study on the states of PHBA in aqueous solution

被引：5

作者：

Zhao, XF ^{[1
]}

Fang, Y ^{[1
]}

机构：

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

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2005年 / 752卷 / 1-3期

关键词：

ultraviolet (UV) Raman spectrum; p-hydroxybenzoic acid (PHBA); density functional theory (DFT); calculated Raman frequencies;

D O I：

10.1016/j.molstruc.2005.06.004

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：

A high quality Raman spectrum of p-hydroxybenzoic acid (PHBA) aqueous solution (10(-2) M) under ultraviolet (UV) excitation at 325 nm was obtained, which could not be observed with visible and near infrared (NIR) excitations due to the low concentration in aqueous solution. Theoretical calculated Raman frequencies based on density functional theory (DFT) reveals well the states of PHBA in aqueous solution. We supply a new method for studying the behaviors of materials in solution. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：198 / 202

页数：5

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