Analysis of vibrational spectra and nonlinear optical properties of organic molecule l-alaninium formate

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 86, Issue , 2012, Pages 174-180

  Jesintha John, C ^a,c   Xavier, T S ^a,d   Amalanathan, M ^a   Hubert Joe, I ^a   Rastogi, V K ^b  

^a MAR IVANIOS COLLEGE   (India)

^b Physics Department   (India)

^c India   (India)

^d St Xavier s HSS Peyad   (India)

Author keywords

Density functional theory; Electronic spectra; First order hyperpolarizability; Second harmonic generation; Vibrational spectra

Indexed keywords

BOND DISTANCE; DENSITY FUNCTIONALS; ELECTRONIC SPECTRUM; EQUILIBRIUM GEOMETRIES; FIRST ORDER; HOMO-LUMO ENERGY GAP; HYPER-POLARIZABILITY; INTRAMOLECULAR HYDROGEN BONDING; NATURAL BOND ORBITAL ANALYSIS; NON-LINEAR OPTICAL; NON-LINEAR OPTICAL ACTIVITY; NON-LINEAR OPTICAL PROPERTIES; ORGANIC MOLECULES; VIBRATIONAL AND ELECTRONIC SPECTRA; VIBRATIONAL WAVENUMBERS;

DENSITY FUNCTIONAL THEORY; HARMONIC GENERATION; HYDROGEN; HYDROGEN BONDS; NONLINEAR OPTICS; VIBRATIONAL SPECTRA;

OPTICAL PROPERTIES;

ALANINE; FORMIC ACID DERIVATIVE; SOLVENT;

ABSORPTION; ARTICLE; CHEMISTRY; CONFORMATION; INFRARED SPECTROSCOPY; KINETICS; LIGHT RELATED PHENOMENA; NONLINEAR SYSTEM; PARTICLE SIZE; ULTRAVIOLET SPECTROPHOTOMETRY; VIBRATION;

ABSORPTION; ALANINE; FORMATES; KINETICS; MOLECULAR CONFORMATION; NONLINEAR DYNAMICS; OPTICAL PHENOMENA; PARTICLE SIZE; SOLVENTS; SPECTROPHOTOMETRY, ULTRAVIOLET; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; VIBRATION;

EID: 83655163707     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.09.070     Document Type: Article

References (21)

1. Y.J. Ding, X. Mu, and X. Gu J. Nonlinear Phys. Mater. 9 2000 21 53
2. X.Q. Wang, D. Xu, M.K. Lu, D.R. Yuan, and S.X. Xu Mater. Res. Bull. 36 2001 879 985
3. C. Razzetti, M. Ardoido, L. Zanotti, M. Zha, and C. Parorici Cryst. Res. Technol. 37 2002 456 465
4. M. Narayan Bhat, and S. Dharmaprakash J. Cryst. Growth 236 2002 376 380
5. J.J. Rodrigues, L. Misoguti, F.D. Nunes, C.R. Mendonca, and S.C. Zilo Opt. Mater. 22 2003 235 240
6. K. Ambujam, S. Selvakumar, D. Prem Anand, G. Mohamed, and P. Sagayaraj Cryst. Res. Technol. 41 2006 671 677
7. G. Ramesh Kumar, S. Gokul Raj, R. Mohan, and R. Jeyavel Cryst. Growth Des. 6 2006 1308 1310
8. L. Misoguti, A.T. Varela, F.D. Nunes, V.S. Bagnato, F.E.A. Melo, J. Mendes Filho, and S.C. Zilio Opt. Mater. 6 1996 147 152
9. S.K. Kurtz, and T.T. Perry J. Appl. Phys. 39 1968 3798 3813
10. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, and D.J. Fox Gaussian 09, Revision A.02 2009 Gaussian, Inc. Wallingford, CT
11. A.P. Scott, and L. Radom J. Phys. Chem. 100 1996 16503 16513
12. M.H. Jamroz Vibrational Energy Distribution Analysis VEDA 4.0 Program Warsaw 2004
13. G. Keresztury, S. Holly, J. Varga, G. Besenyei, A.Y. Wang, and J.R. Durig Spectrochim. Acta A 49 1993 2007 2017
14. D.A. Kleinman Phys. Rev. 126 1977 1962 1979
15. M. Adant, J. Dupis, and L. Bredas Int. J. Quant. Chem. 56 2004 497
16. M. Alagar, R.V. Krishnakumar, M. Subha Nandhini, and S. Natarajan Acta Crystallogr. E 57 2001 o855 o0857
17. L.J. Bellamy The Infra-red Spectra of Complex Molecules 1975 John Wiley and Sons, Inc. New York
18. R.M. Silverstein, and F.X. Webster Spectrometric Identification of Organic Compounds 2003 Jonh Wiley and Sons New York
19. B.C. Smith Infrared Spectral Interpretation, A Systematic Approach 1999 CRC Press Washington, DC
20. N.B. Colthup, L.H. Daly, and S.E. Wiberley Introduction to Infrared and Raman Spectroscopy 1990 Academic Press New York
21. E.D. Glendening, A.E. Reed, J.E. Carpenter, and F. Weinhold NBO Version 3.1 1998 TCI, University of Wisconsin Madison