Synthesis, structure, growth and physical properties of a novel organic NLO crystal: 1,3-Dimethylurea dimethylammonium picrate

被引:26
作者
Babu, G. Anandha [1 ]
Chandramohan, A. [2 ]
Ramasamy, P. [1 ]
Bhagavannarayana, G. [3 ]
Varghese, Babu [4 ]
机构
[1] SSN Coll Engn, Ctr Crystal Growth, Kalavakkam 603110, Tamil Nadu, India
[2] Sri Ramakrishna Mission Vidyalaya Coll Arts & Sci, Dept Chem, Coimbatore 641020, Tamil Nadu, India
[3] Natl Phys Lab, Mat Characterizat Div, New Delhi 110012, India
[4] Indian Inst Technol Madras, Sophisticated Analyt Instrument Facil, Madras 600036, Tamil Nadu, India
关键词
Optical materials; Organic compounds; Crystal growth; X-ray diffraction; Crystal structure; O HYDROGEN-BONDS; INORGANIC CRYSTALS; COMPLEX;
D O I
10.1016/j.materresbull.2010.11.018
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
A novel noncentrosymmetric crystal was prepared from 1,3-dimethylurea dimethylammonium picrate, C(11)H(18)N(6)O(8) (DMUP), which was designed for second harmonic generation. DMUP crystals exist in noncentro symmetric space group Cmc2(1) with unit cell dimensions a = 14.288(4) angstrom, b = 17.023(5)angstrom, c = 6.8268(13) angstrom, alpha = beta = gamma = 90 degrees and volume = 1660.5(8) angstrom(3). The crystal structure of DMUP has been determined using single crystal X-ray diffraction studies. The single crystals of DMUP were successfully grown by the slow evaporation method with dimensions 10 mm x 4 mm x 3 mm using dimethylformamide as solvent. The structural perfection of the grown crystals has been analysed by High-resolution X-ray diffraction (HRXRD) rocking curve measurements. Powder test with Neodymium-doped Yttrium aluminum garnet (Nd:YAG) laser radiation shows a high second harmonic generation (SHG). The laser induced surface damage threshold for the grown crystal was measured using Nd:YAG laser. (C) 2010 Elsevier Ltd. All rights reserved.
引用
收藏
页码:464 / 468
页数:5
相关论文
共 19 条
[1]   SIR97:: a new tool for crystal structure determination and refinement [J].
Altomare, A ;
Burla, MC ;
Camalli, M ;
Cascarano, GL ;
Giacovazzo, C ;
Guagliardi, A ;
Moliterni, AGG ;
Polidori, G ;
Spagna, R .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1999, 32 :115-119
[2]   A study of the effect of annealing on Fe-doped LiNbO3 by HRXRD, XRT and FT-IR [J].
Bhagavannarayana, G ;
Ananthamurthy, RV ;
Budakoti, GC ;
Kumar, B ;
Bartwal, KS .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2005, 38 :768-771
[3]   Enhancement of SHG efficiency by urea doping in ZTS single crystals and its correlation with crystalline perfection as revealed by Kurtz powder and high-resolution X-ray diffraction methods [J].
Bhagavannarayana, G. ;
Kushwaha, S. K. .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2010, 43 :154-162
[4]  
Farrugia L., 1999, ORTEP-3 for Windows
[5]  
Kaino T, 2002, ADV FUNCT MATER, V12, P599, DOI 10.1002/1616-3028(20020916)12:9<599::AID-ADFM599>3.0.CO
[6]  
2-H
[7]   Hyperpolarizabilities of some model hydrogen-bonded complexes: PM3 and ab initio studies [J].
Latajka, Zdzislaw ;
Gajewski, Grzegorz ;
Barnes, Austin J. ;
Xue, Dongfeng ;
Ratajczak, Henryk .
JOURNAL OF MOLECULAR STRUCTURE, 2009, 928 (1-3) :121-124
[8]  
Munn R.W., 1993, PRINCIPLES APPL NONL
[9]  
Sheldrick G.M., 1997, SHELX97, A Program for Crystal Structure Refinement of Crystal Structures
[10]   Single-pass thin-film electro-optic modulator based on an organic molecular salt [J].
Thakur, M ;
Xu, JJ ;
Bhowmik, A ;
Zhou, LG .
APPLIED PHYSICS LETTERS, 1999, 74 (05) :635-637