Physical optical properties and crystal structures of organic 5-sulfosalicylates - Theoretical and experimental study

Journal of Molecular Structure

Volumn 1003, Issue 1-3, 2011, Pages 1-9

  Ivanova, Bojidarka B ^a   Spiteller, Michael ^a  

^a TU DORTMUND UNIVERSITY   (Germany)

Author keywords

Crystals; Optical and NLO properties; Organic 5 sulfosalicylates; Quantum chemistry

Indexed keywords

ABSORPTION SPECTROSCOPY; CRYSTAL STRUCTURE; CRYSTALS; FLUORESCENCE SPECTROSCOPY; QUANTUM CHEMISTRY; SINGLE CRYSTALS; SPECTROSCOPIC ANALYSIS; X RAY DIFFRACTION;

5-SULFOSALICYLIC ACID; ELECTRONIC ABSORPTION; NLO PROPERTIES; NONLINEAR OPTICAL PROPERTIES; ORGANIC 5-SULFOSALICYLATES; QUANTUM CHEMICAL CALCULATIONS; SINGLE CRYSTAL X-RAY DIFFRACTION; SPECTROSCOPIC METHOD;

OPTICAL PROPERTIES;

EID: 80053565336     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2011.06.043     Document Type: Article

References (74)

1. J. Ma, J. Li, and S. Song Cryst. Growth Des. 5 2005 807
2. A. Côté, and G. Shimizu Coord. Chem. Rev. 244 2003 49
3. O. Yaghi, C. Davis, C. Li, and H. Li J. Am. Chem. Soc. 119 1997 2861
4. C. Swiegers, and T. Malefetse Chem. Rev. 100 2000 3483
5. Ch. Bosshard, J. Hulliger, M. Florsheimer, and P. Günter Organic Nonlinear Optical Materials Advances in Nonlinear Optics 2001 Gordon and Breach Sci. Publishers SA, Postfach, Basel
6. D. Chemla, and J. Zyss D. Chemla, J. Zyss, Nonlinear Optical Properties of Organic Molecules and Crystals vol. 1 1987 Academic Press New York 23 187
7. H. Nalwa, T. Watanabe, and S. Miyata H.S. Nalwa, S. Miyata, Nonlinear Optics of Organic Molecules and Polymers 1997 CRC Press Boca Raton 89 329
8. K. Sakada Optical Properties of Photonic Crystals 2005 Springer Berlin
9. J. Reetz, S. Hoger, and K. Harris Angew. Chem. Int. Ed. 33 1994 181
10. J. Zyss J. Zyss, Molecular Monlinear Optics: Material Physics and devices 1993 Academic Press INC San Diego
11. V. Geskin, C. Lambert, and J. Bredas J. Am. Chem. Soc. 125 2003 15651
12. R. Wampler, A. Moad, C. Moad, R. Heiland, and G. Simpson Acc. Chem. Res. 40 2007 953
13. P. Sullivan, and L. Dalton Acc. Chem. Res. 43 2010 10
14. J. Wolff, and R. Wortmann Adv. Phys.Org. Chem. 32 1999 121
15. G. Smith, U.D. Wermuth, and P.C. Healy J. Chem. Crystallogr. 36 2006 841
16. G. Smith, U. Wermuth, and P. Healy Acta Crystallogr. C 61 2005 o555
17. G. Smith, U. Wermuth, and J. White Acta Crystallogr. C 61 2005 o105
18. G. Smith, U.D. Wermuth, and J.M. White Acta Cryst. E61 2005 o313
19. M. Spassova, T. Kolev, I. Kanev, D. Jacquemin, and B. Champagne THEOCHEM 52 2000 528
20. B. Ivanova, and M. Spiteller J. Phys. Chem. A 114 2010 5099
21. B. Ivanova, and M. Spiteller Cryst. Growth Des. 10 2008 2470
22. B. Koleva, T. Kolev, R. Seidel, M. Spiteller, H. Mayer-Figge, and W.S. Sheldrick J. Phys. Chem. A 113 2009 3088
23. G.M. Sheldrick Acta Cryst. A64 2008 112
24. G.M. Sheldrick Acta Cryst. D66 2010 479
25. G.M. Sheldrick Acta Cryst. A46 1990 467
26. L. Farrugia J. Appl. Cryst. 30 1997 565
27. R.H. Blessing Acta Crystallogr. A51 1995 33
28. A.L. Spek J. Appl. Cryst. 36 2003 7
29. Gaussian 98, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, Ö. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, P. Salvador, J.J. Dannenberg, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komáromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian 98, Gaussian, Inc., Pittsburgh, PA, 1998.
30. Dalton 2.0 Program Package, < http://www.kjemi.uio.no/software/dalton/ dalton.html >.
31. F. Jensen Introduction to Computational Chemistry 1999 Wiley New York
32. M. Head-Gordon, J. Pople, and M. Frisch Chem. Phys. Lett. 153 1988 503
33. W. Stevens, M. Krauss, H. Basch, and P. Jansen Can. J. Chem. 70 1992 612
34. W. Hehre, L. Radom, P. Schleyer, and J. Pople Ab Initio Molecular Orbital Theory 1986 Wiley New York
35. D. Woon, and T. Dunning J. Chem. Phys. 98 1993 1358
36. J. Foresman, M. Head-Gordon, J. Pople, and M. Frisch J. Phys. Chem. 96 1992 135
37. K. Wiberg, C. Hadad, J. Foresman, and W. Chupka J. Phys. Chem. 96 1992 10756
38. R. Bauernschmitt, and R. Ahlrichs Chem. Phys. Lett. 256 1996 454
39. R. Stratmann, G. Scuseria, and M. Frisch J. Chem. Phys. 109 1998 8218
40. A. Becke J. Chem. Phys. 96 1992 2155
41. Y. Zhao, and D. Truhlar Accts. Chem. Res. 41 2008 157
42. N. Schultz, Y. Zhao, and D. Truhlar J. Comput. Chem. 29 2008 185
43. Y. Zhao, and D. Truhlar Theor. Chem. Acc. 120 2008 215
44. B. Ivanova, and M. Spiteller Struct. Chem. 21 2010 989
45. B. Ivanova, and M. Spiteller Biopolymers 93 2010 727
46. S. Harsha, and D. Grischkowsky J.Phys.Chem. A 114 2010 3489
47. P. Hay, and W. Wadt J. Chem. Phys. 82 1985 270
48. P. Hay, and W. Wadt J. Chem. Phys. 82 1985 299
49. M. Dolg, U. Wedig, H. Stoll, and H. Preuss J. Chem. Phys. 86 1987 866
50. D. Andrae, U. Haussermann, M. Dolg, H. Stoll, and H. Preuss Theor. Chim. Acta 77 1990 123
51. http://de.openoffice.org/.
52. A. Merschenz-Quack, and D. Mootz Acta Cryst. C46 1990 1478
53. D. Mootz J. Fayos Acta Crystallogr. B26 1970 2046
54. A. Madej Microchim. Acta 85 1985 383
55. J. Ledoux, and J. Zyss Chem. Phys. 73 1982 203
56. K. Oppenheim, T. Korter, J. Melinger, and D. Grischkowsky J. Phys. Chem. 114A 2010 12513
57. A. Ben Ahmed, H. Feki, Y. Abid, H. Boughzala, C. Minot, and A. Mlayah J. Mol. Struct. 920 2009 1
58. A. Ben Ahmed, H. Feki, Y. Abid, H. Boughzala, and C. Minot Spectrochim. Acta A 75 2010 293
59. J. Kulhanek, F. Bure, A. Wojciechowski, M. Makowska-Janusik, E. Gondek, and I. Kityk J. Phys. Chem. 114A 2010 9440
60. M. Jazbinsek, P. Günter, 2011. private communication.
61. B. Ferguson, and X.-C. Zhang Nat. Mater. 1 2002 26
62. M. Tonouchi Nat. Photon. 1 2007 97
63. X.-C. Zhang, and J. Xu Introduction to THz Wave Photonics 2010 Springer
64. M. Theuer, R. Beigang, and D. Grischkowsky Appl. Phys. Lett. 96 2010
65. O. Paul, R. Beigang, and M. Rahm Opt. Express 17 2009 18590
66. S. Wietzke, C. Jansen, F. Rutz, D. Mittleman, and M. Koch Polym. Test 26 2007 614
67. C. Jördens, M. Scheller, S. Wietzke, D. Romeike, D. Jansen, T. Zentgraf, K. Wiesauer, V. Reisecker, and M. Koch Compos. Sci. Technol. 70 2010 472
68. P. Stephens, D. McCann, J. Cheeseman, and M. Frisch Chirality 17 2005 S52
69. P. Stephens, F. Devlin, J. Cheeseman, M. Frisch, O. Bortolini, and P. Besse Chirality 15 2003 S57
70. A. Yildiz, and P. Selvin Accts. Chem. Res. 38 2005 574
71. E. Espinosa, B. Wyncke, F. Brahat, X. Gerbaux, S. Veintemillas, and E. Molins Infrared Phys. Technol. 38 1997 4498
72. H. Matsuura, K. Hasegawa, and T. Miyazawa Spectrochim. Acta 42A 1986 1182
73. R. Bugueno-Hoffmann, F. Romaint, and B. Pasquier J. Raman. Spectrosc. 19 1988 101
74. J. Lefebvre, H. Fontaine, and R. Fouret J. Raman Spectrosc. 4 1975 173