Optical properties of organic nonlinear optical crystal - A combined experimental and theoretical study

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 86, Issue , 2012, Pages 69-75

  Jayabharathi, Jayaraman ^a   Thanikachalam, Venugopal ^a   Brindha Devi, Kumar ^a   Venkatesh Perumal, Marimuthu ^a  

^a ANNAMALAI UNIVERSITY   (India)

Author keywords

Chemosensor; DFT; Emission kinetics; HOMO LUMO; NLO

Indexed keywords

BASIS SETS; CHEMO-SENSORS; CHEMOSENSOR; DFT; FLUORESCENCE ENHANCEMENT; HEAT OF FORMATION; HOMO-LUMO; IMIDAZOLE DERIVATIVES; IN-PLANE; NBO ANALYSIS; NLO; NLO MATERIALS; NON-LINEARITY; OPTIMIZED GEOMETRIES; ORGANIC NONLINEAR OPTICAL CRYSTALS; QUANTUM CHEMICAL CALCULATIONS; RADIATIONLESS TRANSITION; SOLVENT EFFECTS; THEORETICAL STUDY;

CHEMICAL ANALYSIS; CHROMOPHORES; DENSITY FUNCTIONAL THEORY; FLUORESCENCE; METAL IONS; PHYSIOLOGY; QUANTUM CHEMISTRY; THERMOCHEMISTRY; TRANSITION METAL COMPOUNDS; TRANSITION METALS;

OPTICAL PROPERTIES;

IMIDAZOLE DERIVATIVE; ORGANIC COMPOUND; SOLVENT;

ABSORPTION; ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; CRYSTALLIZATION; ELECTRON; KINETICS; LIGHT RELATED PHENOMENA; NONLINEAR SYSTEM; SPECTROFLUOROMETRY; STATIC ELECTRICITY; SURFACE PROPERTY; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

ABSORPTION; CRYSTALLIZATION; CRYSTALLOGRAPHY, X-RAY; ELECTRONS; IMIDAZOLES; KINETICS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; NONLINEAR DYNAMICS; OPTICAL PHENOMENA; ORGANIC CHEMICALS; SOLVENTS; SPECTROMETRY, FLUORESCENCE; STATIC ELECTRICITY; SURFACE PROPERTIES; THERMODYNAMICS;

EID: 83655201219     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.09.067     Document Type: Article

References (36)

1. P. Barni, P. Savarino, and G. Viscardi Trends Heterocycl. Chem. 2 1991 27
2. L.A. Barkova, V.V. Geuzinski, V.I. Danilova, K.M. Degtyarenko, T.N. Kopylanova, and A.L. Kuznelsov Electron (Moscow) 8 1981 1728
3. M. Massacesi, M. Biddau, E. Barni, and P. Savarino Inorg. Chim. Acta 82 1984 27
4. K. Mahanalingam, M. Nethaji, and P.K. Das J. Mol. Struct. 378 1996 177 188
5. R. Koch, J.J. Finnerty, and T. Bruhn J. Phys. Org. Chem. 21 2008 954 962
6. E. Kleinpeter, A. Koch, B. Mikhova, B.A. Stamboliyska, and T.M. Kolev Tetrahedron Lett. 49 2008 1323 1327
7. S.R. Flom, and P.F. Barbara Chem. Phys. Lett. 94 1983 488 493
8. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, T. Vreven Jr., K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, 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, C. Gonzalez, and J.A. Pople Gaussian 03, Revision C.02 2004 Gaussian, Inc. Wallingford, CT
9. M. Wagener, J. Sadowsky, and J. Gasteiger J. Am. Chem. Soc. 117 1995 7769 7775
10. Y. Yang, W.J. Zhang, and X.M. Gao Int. J. Quantum Chem. 106 2006 1199 1207
11. J. Jayabharathi, V. Thanikachalam, and K. Saravanan J. Photochem. Photobiol. A 208 2009 13 20
12. J. Jayabharathi, V. Thanikachalam, K. Saravanan, and N. Srinivasan J. Fluoresc. 2010 10.1007/s10895-010-0737-7
13. K. Saravanan, N. Srinivasan, K. Thanikachalam, and J. Jayabharathi J. Fluoresc. 21 2011 65 80
14. P. Gayathri, J. Jayabharathi, N. Srinivasan, A. Thiruvalluvar, and R.J. Butcher Acta Crystallogr. E 66 2010 o1703
15. P. Gayathri, J. Jayabharathi, K. Saravanan, A. Thiruvalluvar, and R.J. Butcher Acta Crystallogr. E 66 2010 o1791
16. P. Gayathri, J. Jayabharathi, N. Srinivasan, A. Thiruvalluvar, and R.J. Butcher Acta Crystallogr. E 66 2010 o2519
17. J. Jayabharathi, V. Thanikachalam, N. Srinivasan, and K. Saravanan J. Fluoresc. 2010 10.1007/s10895-010-0747-5
18. J. Jayabharathi, V. Thanikachalam, K. Saravanan, N. Srinivasan, and M. Venkatesh Perumal Spectrochim. Acta A 79 2010 794 802
19. J. Jayabharathi, V. Thanikachalam, K. Jayamoorthy, and M. Venkatesh Perumal Spectrochim. Acta A 79 2010 6 16
20. P. Gayathri, J. Jayabharathi, N. Srinivasan, A. Thiruvalluvar, and R.J. Butcher Acta Crystallogr. E 66 2010 o2826
21. J. Jayabharathi, V. Thanikachalam, K. Saravanan, and M. Venkatesh Perumal Spectrochim. Acta A 79 2011 1240 1246
22. J. Jayabharathi, V. Thanikachalam, K. Brindha Devi, and N. Srinivasan Spectrochim. Acta A 82 2011 513 520
23. J. Jayabharathi, V. Thanikachalam, K. Brindha Devi, and M. Venkatesh Perumal Spectrochim. Acta A 83 2011 587 591
24. G. Gabor, Y.F. Frei, and E. Fischer J. Phys. Chem. 72 1968 3266
25. P. Ren, T. Liu, J. Qin, and C. Chen Spectrochim. Acta A 59 2003 1095
26. S.K. Dogra J. Photochem. Photobiol. A 172 2005 185
27. Z. Zhou, and C.J. Fahrni J. Am. Chem. Soc. 126 29 2004 8862
28. Y. Porter, K.M. OK, N.S.P. Bhuvanesh, and P.S. Halasyamani Chem. Mater. 13 2001 1910 1915
29. M. Narayana Bhat, and S.M. Dharmaprakash J. Cryst. Growth 236 2002 376 380
30. D. Steiger, C. Ahlbrandt, and R. Glaser J. Phys. Chem. B 102 1998 4257 4260
31. V. Crasta, V. Ravindrachary, R.F. Bharantri, and R. Gonsalves J. Cryst. Growth 267 2004 129 133
32. P. Wang, P. Zhu, W. Wu, H. Kang, and C. Ye Phys. Chem. Chem. Phys. 1 1999 3519 3525
33. Y. Yang, W.J. Zhang, and X.M. Gao Int. J. Quant. Chem. 106 2006 1199 1207
34. S.F. Tayyari, S. Laleh, Z.M. Tekyeh, M.Z. Tabrizi, Y.A. Wang, and H. Rahemi Mol. Struct. 827 2007 176 187
35. J. Marshal Ind. J. Phys. 7213 1988 659 661
36. G. Wang, F. Lian, Z. Xie, G. Su, L. Wang, X. Jing, and F. Wang Synth. Met. 131 2002 1 5