Synthesis, structure, linear and third-order nonlinear optical behavior of N-(3-hydroxybenzalidene)4-bromoaniline

Journal of Molecular Structure

Volumn 877, Issue 1-3, 2008, Pages 152-157

  Karakaş, Asli ^a   Ünver, Hüseyin ^b   Elmali, Ayhan ^b  

^a SELCUK UNIVERSITY   (Turkey)

^b ANKARA UNIVERSITY   (Turkey)

Author keywords

Configuration interaction; Dynamic second hyperpolarizability; One photon absorption; Static second hyperpolarizability; Time dependent Hartree Fock

Indexed keywords

CRYSTAL STRUCTURE; MOLECULAR STRUCTURE; NONLINEAR OPTICS; PHOTONS; X RAY DIFFRACTION ANALYSIS;

ONE PHOTON ABSORPTION; STATIC SECOND HYPERPOLARIZABILITY;

SYNTHESIS (CHEMICAL);

EID: 40849130914     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2007.07.030     Document Type: Article

References (38)

1. Karakaş A., Elmali A., Ünver H., Kara H., and Yahsi Y. Z. Naturforsch. 61b (2006) 968
2. Ünver H., Elmali A., Karakaş A., Kara H., and Donmez E. J. Mol. Struct. 800 (2006) 18
3. Pedersen K., Pedersen T.G., Kristensen T.B., and Morgen P. Appl. Phys. B 68 (1999) 637
4. Perpète E.A., André J.M., and Champagne B. J. Chem. Phys. 109 (1998) 4624
5. Bishop D.M., Luis J.M., and Kirtman B. J. Chem. Phys. 108 (1998) 10013
6. Burland D.M., Miller R.D., and Walsh C.A. Chem. Rev. 94 (1994) 31
7. Pedersen T.G., Pedersen K., Kristensen P.K., Rafaelsen J., Skivesen N., Li Z., and Hoffmann S.V. Surf. Sci. 516 (2002) 127
8. Elmali A., Karakaş A., and Ünver H. Chem. Phys. 309 (2005) 251
9. Karakaş A., Ünver H., Elmali A., and Svoboda I. Z. Naturforsch. 60a (2005) 376
10. Karakaş A., Elmali A., Ünver H., and Svoboda I. J. Mol. Struct. 702 (2004) 103
11. Maroulis G. Chem. Phys. Lett. 289 (1998) 403
12. Batista E.R., Xantheas S.S., and Jónsson H. J. Chem. Phys. 109 (1998) 4546
13. Christiansen O., Gauss J., and Stanton J.F. Chem. Phys. Lett. 305 (1999) 147
14. Stoe, Cie, X-AREA (version 1.18) and X-RED32 (version 1.04), Stoe & Cie, Darmstadt, Germany, 2002.
15. Sheldrick G.M. SHELXS-97, Program for the Solution of Crystal Structures (1997), University of Goettingen, Germany
16. Sheldrick G.M. SHELXL-97 Program for the refinement of Crystal Structures (1997), University of Goettingen, Germany
17. Farrugia L.J. J. Appl. Crystallogr. 30 (1997) 565
18. Further information may be obtained from: Cambridge Crystallographic Data Center (CCDC), 12 Union Road, Cambridge CB21EZ, UK, by quoting the Depository No. CCDC 266594, e-mail: deposit@ccdc.cam.ac.uk.
19. Dunning T.H. J. Chem. Phys. 55 (1971) 716
20. McLean A.D., and Chandler G.S. J. Chem. Phys. 72 (1980) 5639
21. Wachters A.J.H. J. Chem. Phys. 52 (1970) 1033
22. Schäfer A., Huber C., and Ahlrichs R. J. Chem. Phys. 100 (1994) 5829
23. Intel×86 (win32, Linux, OS/2, DOS) version, PC GAMESS version 6.2, Build No. 2068. This version of GAMESS is described in: M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S.J. Su, T.L. Windus, M. Dupuis, J.A. Montgomery, J. Comput. Chem. 14 (1993) 1347.
24. M.P. Bogaard, B. Orr, J. Phys. Chem., Ser. 2;
25. In: Buckingham A.D. (Ed). MTP International Review of Science vol. 2 (1975), Butterworths, London 149
26. 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, 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. Ayala, Q. Cui, K. Morokuma, 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. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, 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, GAUSSIAN98, Revision A.7, Gaussian Inc., Pittsburgh, PA, 1998.
27. Bosshard C., Sutter K., Schlesser R., and Günter P. J. Opt. Soc. Am. B10 (1993) 867
28. Jacques J., Collet A., and Willen S.H. Enantiomers, Racemates and Resolutions (1981), Wiley Interscience, New York
29. Yang Q., Tang Y., Yang W., and Chen H. Acta Crystallogr. C54 (1998) 1532
30. Wong M.S., Gramlich V., Pan F., Bosshard C., and Günter P. Acta Crystallogr. C53 (1997) 757
31. Nalwa H.S., Hanack M., Pawlowski G., and Engel M.K. Chem. Phys. 245 (1999) 17
32. Kulakowska J., and Kucharski S. Eur. Polym. J. 36 (2000) 1805
33. Albert I.D.L., Marks T.J., and Ratner M.A. Chem. Mater. 10 (1998) 753
34. Zhou Y., Feng S., and Xie Z. Opt. Mater. 24 (2003) 667
35. Di Bella S., Fragala I., Ledoux I., Diaz-Garcia M.A., Lacroix P.G., and Marks T.J. Chem. Mater. 6 (1994) 881
36. Bhat K., Chang K.J., Aggarwal M.D., Wang W.S., Penn B.G., and Frazier D.O. Mater. Chem. Phys. 44 (1996) 261
37. Xue D., and Zhang S. J. Phys. Chem. Solids 57 (1996) 1321
38. Zyss J., Nicoud J.F., and Coquillay M. J. Chem. Phys. 81 (1984) 4160