Synthesis, characterization and non-linear optical properties of Tetrakis(dimethylammonium) Bromide Hexabromobismuthate: {[(CH3) 2NH2]+}4·Br -·[BiBr6]3-

Journal of Molecular Structure

Volumn 984, Issue 1-3, 2010, Pages 23-29

  Samet, A ^a   Boughzala, H ^b   Khemakhem, H ^a   Abid, Y ^a  

^a University of Sfax   (Tunisia)

^b Institut Preparatoire aux Etudes d'Ingenieurs de Nabeul   (Tunisia)

Author keywords

Crystal structure; DFT; NLO; Organic inorganic; Vibrational assignment

Indexed keywords

B3LYP/LANL2DZ; CALCULATED VALUES; DFT; DFT CALCULATION; DFT METHOD; DIMETHYLAMMONIUM; GEOMETRICAL PARAMETERS; GEOMETRY OPTIMIZATION; HYPERPOLARIZABILITIES; NLO; NONLINEAR OPTICAL PROPERTIES; ORGANIC-INORGANIC; ORGANIC-INORGANIC HYBRID MATERIALS; RAMAN SPECTRA; SINGLE CRYSTAL XRD; SPACE GROUPS; SPECTRAL DATA; TETRAKIS; THEORETICAL CALCULATIONS; TITLE COMPOUNDS; UNIT CELLS; VIBRATIONAL ASSIGNMENT;

BROMINE COMPOUNDS; DENSITY FUNCTIONAL THEORY; GEOMETRY; HYBRID MATERIALS; ISOMERS; MOLECULES; OPTICAL PROPERTIES; OPTIMIZATION; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SINGLE CRYSTALS; SULFUR COMPOUNDS; X RAY DIFFRACTION;

CRYSTAL STRUCTURE;

EID: 78649332541     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2010.08.049     Document Type: Article

References (41)

1. C. Chen, and G. Liu Annu. Rev. Mater. Sci. 16 1986 203
2. X.Q. Wang, D. Xu, D.R. Yuan, Y.P. Tian, W.T. Yu, S.Y. Sun, Z.H. Yang, Q. Fang, M.K. Lu, Y.X. Yan, F.Q. Meng, S.Y. Guo, G.H. Zhang, and M.H. Jiang Mater. Res. Bull. 34 1999 2003
3. H.O. Marcy, L.F. Warren, M.S. Webb, C.A. Ebbers, S.P. Velsko, G.C. Kennedy, and G.C. Catella App. Opt. 31 1992 5051
4. J.G. Qin, D.Y. Liu, C.Y. Dai, C.T. Chen, B.C. Wu, C.L. Yang, and C.M. Zhan Coord. Chem. Rev. 188 1999 23
5. Ying Li, Zhi-Ru Li, Di Wu, Rui-Yan Li, Xi-Yun Hao, and C.C. Sun J. Phys. Chem. B 108 2004 3145
6. S.H. Nalwa Appl. Organomet. Chem. 5 1991 343
7. J. Qin, N. Su, C. Dai, C. Yang, D. Liu, M.W. Day, B. Wu, and C. Chen Polyhedron 18 1999 3461
8. W.E. Moerner, and S.M. Silence Chem. Rev. 94 1994 127
9. O.R. Evans, and W.B. Lin Acc. Chem. Res. 35 2002 511
10. W.B. Lin, O.R. Evans, R.G. Xiong, and Z.Y. Wang J. Am. Chem. Soc. 120 1998 13272
11. W.B. Lin, Z.Y. Wang, and L. Ma J. Am. Chem. Soc. 121 1999 11249
12. O.R. Evans, R.G. Xiong, Z.Y. Wang, G.K. Wong, and W.B. Lin Angew. Chem., Int. Ed. Engl. 38 1999 536
13. J. Ramajothi, S. Dhanuskodi, and K. Nagarajan Cryst. Res. Technol. 39 2004 414
14. V.R. Thalladi, A. Nangia, G.R. Desiraju, S. Brasselet, J. Zyss, D. Blaser, and R. Boese Chem. Commun. 1997 1841
15. Y.T. Wang, H.H. Fan, H.Z. Wang, and X.M. Chen Inorg. Chem. 44 2005 4148
16. H. Xu, Y.L. Song, L.W. Mi, H.W. Hou, M.S. Tang, Y.L. Sang, Y.T. Fan, and Y. Pan J. Chem. Soc., Dalton Trans. 2006 838
17. Y. Ma, Z.B. Han, Y.K. He, and L.G. Yang Chem. Commun. 2007 4107
18. G.M. Sheldrick SHELXL, Program for Crystal Structure Refinement 1997 University of Goettingen Germany
19. M.J. Frish, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, J.R.E. Stramann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Stain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Agula, Q. Cui, K. Morkuma, D.K. Malick, A.D. Rabuck, K. Raghavachri, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liv, A. Liashenko, P. Piskorz, I. Komaromi, R. Comperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkaray, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wang, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, and J.A. Pople Gaussian 98, Revision A.9 1998 Gaussian Inc. Pittsburgh, PA
20. A.D. Becke J. Chem. Phys. 98 1994 5648
21. P.J. Stephens, F.J. Devlin, C.F. Chabalowski, and M.J. Frisch J. Phys. Chem. 98 1994 11623
22. P.J. Hay, and W.R. Wadt J. Chem. Phys. 82 1985 270
23. G. Rauhut, and P. Pulay J. Phys. Chem. 99 1995 3093
24. J.H. Noordik, and G. Schaftenaar J. Comput. Aid. Mol. Des. 14 2000 123
25. S. Elleuch, Y. Abid, A. Mlayah, and H. Boughzala J. Raman Spectrosc. 39 2008 786
26. G.W. McPherson, and E.A. Meyers J. Phys. Chem. 72 1968 3117
27. G. Bator, Th. Zeegers-Huyskens, R. Jakubas, and J. Zaleski J. Mol. Struct. 570 2001 61
28. U. Ensinger, W. Schwarz, and A. Schmidt Z. Naturforsch. 38b 1983 149
29. J. Zaleski, and A. Pietraszko J. Mol. Struct. 327 1994 287
30. E. Herdtweck, and U. Kreusel Acta Cryst. C49 1993 318
31. M.A. Hooper, and D.W. James Aust. J. Chem. 26 1973 1401
32. M.H. Kuok, S.C. Ng, M. Iwata, and Y. Ishibashi Solid State Commun. 56 1993 151
33. J. Laane, and P. Jagodzinski Inorg. Chem. 19 1980 44
34. I. Belkyal, R. Mokhlisse, B. Tanouti, N.B. Chanh, and M. Couzi Phys. Status Solidi (A) 136 1993 45
35. N.P.G. Roeges A Guide to the Complete Interpretation of Infrared Spectra of Organic Structures 1994 Wiley New York
36. H. Alyar, Z. Kantarci, M. Bahat, and E. Kasap J. Mol. Struct. 516 2007 834
37. K.S. Thanthiriwatte, and K.M.N. de Silva J. Mol. Struct. (Theochem) 617 2002 169
38. Poornima S. Liyanage, Rohini M. de Silva, and K.M. Nalin de Silva J. Mol. Struct. (Theochem) 639 2003 195
39. Y. Lefur, M. Bagieu-Beucher, R. Masse, J.F. Nicoud, and J.P. Lévy Chem. Mater. 8 1996 68
40. C.C. Evans, M. Bagieu-Beucher, R. Masse, and J.F. Nicoud Chem. Mater. 10 1998 847
41. D.M. Bishop, and B. Kitman Phys. Rev. B 56 1997 2273