Vibrational spectroscopic studies and ab initio calculations of 2-cyanophenylisocyanid dichloride

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 67, Issue 3-4, 2007, Pages 1055-1059

  Varghese, Hema Tresa ^a   Panicker, C Yohannan ^b   Philip, Daizy ^c   Pazdera, Pavel ^d  

^a FATIMA MATA NATIONAL COLLEGE   (India)

^b TKM COLLEGE OF ARTS AND SCIENCE   (India)

^c MAR IVANIOS COLLEGE   (India)

^d MASARYK UNIVERSITY   (Czech Republic)

Author keywords

Cyano; FT IR; FT Raman; HF ab initio calculation

Indexed keywords

CYANO; FT-RAMAN; HARTREE-FOCK; HF AB INITIO CALCULATION;

COMPUTATIONAL METHODS; FOURIER TRANSFORM INFRARED SPECTROSCOPY; MASS SPECTROMETRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; RAMAN SPECTROSCOPY; VIBRATIONAL SPECTROSCOPY;

CYANIDES;

CHLORIDE; NITRILE; PHENYLISOCYANIDE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; INFRARED SPECTROSCOPY; MASS SPECTROMETRY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; RAMAN SPECTROMETRY; VIBRATION;

CHLORIDES; MAGNETIC RESONANCE SPECTROSCOPY; MASS SPECTROMETRY; MODELS, CHEMICAL; NITRILES; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 34249319790     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2006.08.045     Document Type: Article

References (18)

1. Pazdera P., Divisova H., Havlisova H., and Borek P. Molecules 5 (2000) 189
2. Pazdera P., Divisova H., Havlisova H., and Borek P. Molecules 5 (2000) 1166
3. Pazdera P., Ondracek D., and Novacek E. Chem. Papers 43 (1989) 465
4. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Montgomery Jr. J.A., Vreven T., Kudin K.N., Burant J.C., Millam J.M., Iyengar S.S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G.A., Nakatsuji H., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Klene M., Li X., Knox J.E., Hratchian H.P., Cross J.B., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Ayala P.Y., Morokuma K., Voth G.A., Salvador P., Dannenberg J.J., Zakrzewski V.G., Dapprich S., Daniels A.D., Strain M.C., Farkas O., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Ortiz J.V., Cui Q., Baboul A.G., Clifford S., Cioslowski J., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Gonzalez C., and Pople J.A. Gaussian 03, Revision C. 02 (2004), Gaussian, Inc., Wallingford, CT
5. Foresman J.B., and Frisch E. Exploring Chemistry with Electronic Structure Methods : A Guide to Using Gaussian (1996), Gaussian, Pittsburg, PA
6. Flukiger P., Luthi H.P., Portmann S., and Weber J. MOLEKEL 4. 3 (2000-2002), Swiss Center for Scientific Computing, Manno, Switzerland
7. S. Portmann, H.P. Luthi, MOLEKEL, An Interactive Molecular Graphics Tool, CHIMIA 766, 2000.
8. Roeges N.P.G. A Guide to the Complete Interpretation of Infrared Spectra of Organic Structures (1994), Wiley, New York
9. Varsanyi G. Assignments for Vibrational Spectra of 700 Benzene Derivatives (1974), Wiley, New York
10. Silverstein R.M., and Webster F.X. Spectrometric Identification of Organic Compounds. 6th ed. (2003), Wiley, Asia
11. Miller F.A. J. Raman Spectrosc. 19 (1988) 219
12. Coates J. Encyclopedia of analytical chemistry. In: Meyers R.A. (Ed). Interpretation of Infrared Spectrum, A Practical Approach (2000), John Wiley and Sons Ltd., Chichester
13. Colthup N.B., Daly L.H., and Wiberly S.E. Introduction to IR and Raman Spectroscopy (1975), Academic Press, New York
14. Louran G., Lapkowski M., Quillard S., Pron A., Buisson J.B., and Lefrant S. J. Phys. Chem. 100 (1996) 6998
15. Kohlrausch K.W.F. Phys. Zeitschr. 37 (1936) 58
16. Nordheim G., and Sponer H. J. Chem. Phys. 11 (1943) 253
17. Shurvell H.F., Dualaurens B., and Pesteil P. Spectrochim. Acta 22 (1966) 333
18. Sykes P. A Guide Book to Mechanism in Organic Chemistry. 6th ed. (2004), Pearson Education, India