期刊
JOURNAL OF CRYSTAL GROWTH
卷 327, 期 1, 页码 133-139出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.jcrysgro.2011.05.010
关键词
Characterization; Crystal structure; Solubility; X-ray diffraction; Growth from solutions; Organic compounds
资金
- National Natural Science Foundation of China (NSFC) [50872067, 50772059]
- Foundation for the Author of National Excellent Doctoral Dissertation of China [200539]
- Independent Innovation Foundation of Shandong University (IIFSDU) [2009JC012]
- Natural Science Foundation of Shandong Province [2R2010EM039]
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.
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