FT-IR, FT-Raman and UV-Vis spectra and DFT calculations of 3-cyano-4-methylcoumarin

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 97, Issue , 2012, Pages 728-736

  Udaya Sri, N ^a   Chaitanya, K ^a   Prasad, M V S ^a   Veeraiah, V ^a   Veeraiah, A ^a  

^a ANDHRA UNIVERSITY   (India)

Author keywords

3 Cyano 4 methylcoumarin; DFT; FT IR; FT Raman; UV Vis spectra

Indexed keywords

3-CYANO-4-METHYLCOUMARIN; DFT; FT-IR; FT-RAMAN; UV-VIS SPECTRA;

MOLECULAR PHYSICS; SPECTROSCOPY;

DENSITY FUNCTIONAL THEORY;

3 CYANO 4 METHYLCOUMARIN; 3-CYANO-4-METHYLCOUMARIN; COUMARIN DERIVATIVE;

ABSORPTION; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; ELECTRON; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY; STATIC ELECTRICITY; ULTRAVIOLET SPECTROPHOTOMETRY; VIBRATION;

ABSORPTION; COMPUTER SIMULATION; COUMARINS; ELECTRONS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; SPECTROPHOTOMETRY, ULTRAVIOLET; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; STATIC ELECTRICITY; VIBRATION;

EID: 84865294260     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.07.055     Document Type: Article

References (43)

1. N.I. Sax Dangerous Properties of Industrial Materials 4th ed. 1975 Van Nostrand Co. New York
2. M. Mladenović, N. Vuković, N. Niciforović, S. Sukdolak, and S. Solujić Molecules 14 2009 1495
3. A.K. Okamoto, A.C. Gaudio, A. dos Santos Marques, and Y. Takahata J. Mol. Struct. Theochem. 725 2005 231
4. Z. Debeljak, A. Škrbo, I. Jasprica, A. Mornar, V. Plečko, M. Banjanac, and M. Medić-Šaric J. Chem. Inf. Model. 47 2007 918
5. P.M. Boisde, and W.C. Meuly Coumarin fourth ed. J.I. Kroschwitz, M. Howe-Grant, Kirk-Othmer Encyclopedia of Chemical Technology vol. 7 1993 John Wiley New York 647
6. Aoife Lacy, and Richard O'Kennedy Curr. Pharm. Des. 10 2004 3797
7. G. Jones, W.R. Jackson, Chol-yoo Choi, and W.R. Bergmark J. Phys. Chem. 89 1985 294
8. R.S. Rasmussen, and R.R. Brattain J. Am. Chem. Soc. 71 1949 1073
9. C.P. Girijavallabhan, and K. Venkateswarlu Curr. Sci. 37 1968 10
10. S.S. Saleem, and G. Aruldhas Indian J. Pure Appl. Phys. 21 1984 110
11. S.R. Tripati, and N.K. Sanyal Ind. J. Phys. 63B 1989 474
12. A. Ramoji, J. Yenagi, J. Tonannavar, V.B. Jadhav, and M.V. Kulkarni Spectrochim. Acta. A 68 2007 504
13. D. Sajan, Y. Erdogdu, R. Reshmy, O. Dereli, K. Kurien Thomas, and I. Hubert Joe Spectrochim. Acta A82 2011 118 125
14. V. Sortur, J. Yenagi, J. Tonannavar, V.B. Jadhav, and M.V. Kulkarni Spectrochim. Acta. A 64 2006 301
15. V. Sortur, J. Yenagi, J. Tonannavar, V.B. Jadhav, and M.V. Kulkarni Spectrochim. Acta. A 71 2008 688
16. R. Abu-Eittah, and B.A.H. El-Tawil Can J. Chem. 63 1985 1173 1179
17. A. Barzegar, M.D. Davari, N. Chaparzadeh, N. Zarghami, J.Z. Pedersen, S. Incerpi, L. Saso, and A.A. Moosavi-Movahedi J. Iran. Chem. Soc. 8 2011 973 982
18. M. Yamaji, K. Nozaki, X. Allonas, S. Nakajima, S. Tero-Kubota, and B. Marciniak J. Phys. Chem. A 113 2009 5815
19. R.M. Christie, and Chih-Hung Lui Dyes Pigments 42 1999 85
20. M.S.A. Abdel-Mottaleb, B.A. Sayed, M.M. Abo-Aly, and M.Y. El-Kady J. Photochem. Photobiol. A: Chem. 46 1989 379
21. A.D. Becke J. Chem. Phys. 98 1993 5648
22. C. Lee, W. Yang, and R.G. Parr Phys. Rev. 37 1988 785
23. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, 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, H.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, J.A. Pople, Gaussian 03, Revision D.01, Gaussian Inc., Wallingford, CT, 2004.
24. G. Rauhut, and P. Pulay J. Phys. Chem. 99 1995 3093 3100
25. P. Pulay, G. Fogarasi, F. Pang, and J.E. Boggs J. Am. Chem. Soc. 101 1979 2550
26. T. Sundius J. Mol. Struct. 218 1990 321
27. T. Sundius Vibr. Spectrosc. 29 2002 89
28. G. Keresztury, S. Holly, J. Varga, G. Besenyei, A.Y. Wang, and J.R. Durig Spectrochim. Acta A 49 1993 2007
29. G. Keresztury J.M. Chalmers, P.R. Griffiths, Handbook of Vibrational Spectroscopy vol. 1 2002 Wiley New York
30. E.S. Aazam, A. Fawazy, and P.B. Hitchcock Acta Cryst. E62 2006 o4285 o4287
31. L. Vijayalakshmi, V. Parthasarathi, B. Varu, and A. Shah Acta Cryst. E57 2001 o436
32. H. Neugebauer, C. Kvarnström, C. Brabec, N.S. Sariciftci, R. Kiebooms, F. Wudl, and S. Luzzati J. Chem. Phys. 110 1999 12108
33. P. Pulay, G. Fogarasi, G. Pongor, J.E. Boggs, and A. Vargha J. Am. Chem. Soc. 105 1983 7037
34. G. Fogarasi, X. Zhou, P.W. Taylor, and P. Pulay J. Am. Chem. Soc. 114 1992 8191 8201
35. G. Varsanyi Assignments for Vibrational Spectra of Seven Hundred Benzene Derivatives 1973 Academic Kiaclo Budapest vol. 1 and 2
36. M. Arivazhagan, K. Sambathkumar, and S. Jeyavijayan Indian J. Pure. Appl Phys 48 2010 716
37. G. Varsanyi Vibrational Spectra of Benzene Derivatives 1969 Academic Press New York
38. G. Socrates Infrared and Raman Characteristic Group Wave Numbers - Tables and Charts third ed. 2001 John Wiley and sons New York
39. D.A. Long, and W.O. George Spectrochim. Acta A. 19 1963 1777
40. N.P. Roeges A guide to the complete interpretation of infrared spectra of organic structures 1994 Wiley New York
41. N. Sundaraganesan, G. Elango, S. Sebastian, and P. Subramani Indian J. Pure. Appl. Phys. 47 2009 481
42. S. Sebastian, N. Sundaraganesan, B. Karthikeiyan, and V. Srinivasan Spectrochim. Acta A. 78 2011 590
43. S.H. Alarcon, D. Pagani, J. Bacigalupo, and A.C. Olivieri J. Mol. Struct. 475 1999 233