Crystal structure, vibrational spectra and nonlinear optical properties of L-histidinium-L-tartrate hemihydrate

被引：89

作者：

Marchewka, MK

Debrus, S

Pietraszko, A

Barnes, AJ

Ratajczak, H

机构：

[1] Polish Acad Sci, Inst Low Temp & Struct Res, PL-50950 Wroclaw 2, Poland

[2] Univ Paris 06, CNRS, UMR 7601, Lab Opt Solides, F-75252 Paris 05, France

[3] Univ Salford, Sch Chem Sci, Salford M5 4WT, Lancs, England

[4] Univ Wroclaw, Fac Chem, PL-50383 Wroclaw, Poland

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2003年 / 656卷 / 1-3期

关键词：

FTIR spectroscopy; FT Raman spectroscopy; X-ray crystallography; hydrogen bonded molecular crystal; second harmonic generation;

D O I：

10.1016/S0022-2860(03)00352-1

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：

Single crystals of a new L-histidinium salt: L-histidinium L-tartrate hemihydrate, [(C3H4N2)+C3H6NO2].(C4H5O6)(-).0.5H(2)O, were obtained by slow evaporation of an aqueous solution at room temperature. The compound crystallises in a noncentrosymmetric space group of the monoclinic system. The L-histidine molecule occurs in the zwitterion form, with additional protonation of the N(3) ring atom, while the tartaric acid is singly ionised with one COO- carboxylate group. The vibrational spectra are in full agreement with the structure obtained from X-ray crystallography. The salt is a good second harmonic generator: the SHG efficiency was measured as d(eff) = 0.79d(eff) (KDP). (C) 2003 Elsevier B.V. All rights reserved.

引用

页码：265 / 273

页数：9

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