Single crystal growth, crystal structure and characterization of a novel crystal: L-arginine 4-nitrophenolate 4-nitrophenol dehydrate (LAPP)

被引：71

作者：

Wang, L. N. ^{[1
,2
]}

Wang, X. Q. ^{[1
,2
]}

Zhang, G. H. ^{[1
,2
]}

Liu, X. T. ^{[1
,2
]}

Sun, Z. H. ^{[3
]}

Sun, G. H. ^{[1
,2
]}

Wang, L. ^{[1
,2
]}

Yu, W. T. ^{[1
,2
]}

Xu, D. ^{[1
,2
]}

机构：

[1] Shandong Univ, State Key Lab Crystal Mat, Jinan 250100, Peoples R China

[2] Shandong Univ, Inst Crystal Mat, Jinan 250100, Peoples R China

[3] Chinese Acad Sci, Fujian Inst Res Struct Matter, Fuzhou 350002, Peoples R China

来源：

JOURNAL OF CRYSTAL GROWTH | 2011年 / 327卷 / 01期

基金：

中国国家自然科学基金;

关键词：

Characterization; Crystal structure; Solubility; X-ray diffraction; Growth from solutions; Organic compounds; NONLINEAR-OPTICAL PROPERTIES; MONOHYDRATE; MORPHOLOGY; PHOSPHATE;

D O I：

10.1016/j.jcrysgro.2011.05.010

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

A novel organic crystal. L-arginine 4-nitrophenolate 4-nitrophenol dehydrate (LAPP), synthesized and grown from aqueous solution, is presented. X-ray single diffraction shows that LAPP belongs to the monoclinic crystallographic system with space group P2(1). FT-IR and UV/vis/NIR transmission spectra have been employed to characterize the crystal. The computational calculation based on the density functional theory at the B3LYP/6-31G (d, p) level has been used to compute the first-order hyperpolarizability of LAPP relating to different molecular models. The morphology, nonlinear characteristic and thermal stability of the crystal have also been investigated. (C) 2011 Elsevier B.V. All rights reserved.

引用

页码：133 / 139

页数：7

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