Vibrational spectra of acid and alkaline glycine salts

被引：152

作者：

Rosado, MT

Duarte, MLTS

Fausto, R ^{[1
]}

机构：

[1] Univ Coimbra, Dept Quim, P-3049 Coimbra, Portugal

[2] Univ Lisbon, Fac Ciencias, Dept Quim & Bioquim, P-1700 Lisbon, Portugal

来源：

VIBRATIONAL SPECTROSCOPY | 1998年 / 16卷 / 01期

关键词：

glycine (neutral and zwitterionic forms); acid and alkaline glycine salts; vibrational (IR and Raman) spectra; ab initio prediction of vibrational spectra;

D O I：

10.1016/S0924-2031(97)00050-7

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

The infrared and Raman spectra of crystalline acid (+NH3CH2COOH . Cl-) and alkaline (Na+. NH2CH2COO-) glycine salts were recorded and interpreted. The assignments were confirmed by comparison with the infrared and Raman spectra of crystalline glycine (zwitterion, +NH3CH2COO-), and the infrared spectrum of this molecule isolated in an argon matrix at low temperature (10 K) (neutral form, NH2CH2COOH). Further insight on the features of the vibrational spectra of these substances was achieved by ab initio (HF/6-31G*) frequency and intensity calculations and potential energy distribution calculations resulting from normal coordinate analysis. (C) 1998 Elsevier Science B.V.

引用

页码：35 / 54

页数：20

共 33 条

[1] THE INFRA-RED ABSORPTION BANDS ASSOCIATED WITH THE COOH AND COOD GROUPS IN DIMERIC CARBOXYLIC ACID .2. THE REGION FROM 3700 TO 1500 CM-1 [J].