Theoretical investigation of the structure and vibrational spectra of carbamoyl azide

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 64, Issue 3, 2006, Pages 568-573

  Umar, Yunusa ^a  

^a KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS   (Saudi Arabia)

Author keywords

Ab initio; Carbamoyl azide; Carbamyl azide; Density functional method; Infrared spectra; Raman spectra; Vibrational frequencies

Indexed keywords

AB INITIO; CARBAMOYL AZIDE; CARBAMYL AZIDE; DENSITY FUNCTIONAL METHOD; VIBRATIONAL FREQUENCIES;

CONFORMATIONS; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING; SPECTRUM ANALYSIS; VIBRATION CONTROL;

NITROGEN COMPOUNDS;

AZIDE; CARBAMIC ACID; CARBAMIC ACID DERIVATIVE;

ARTICLE; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; RAMAN SPECTROMETRY;

AZIDES; CARBAMATES; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN;

EID: 33646240345     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2005.07.055     Document Type: Article

References (22)

1. Lieber E., Minnis R.L., and Rao C.N.R. Chem. Rev. 65 (1965) 377
2. Lwowski W. In: Patai S. (Ed). The Chemistry of Azido Group (1971), Interscience, New York 520-527
3. Deroose F.D., and De Clereq P.J. Tetrahedron Lett. 34 (1993) 4365
4. Del Signore G., Fioravanti S., Pellacani L., and Tardella P.A. Tetrahedron 57 (2001) 4623
5. Tang W., Schmid J., Feibig H.H., and Eisenbrand G. J. Cancer Res. Clin. Oncol. 111 (1986) 25
6. Parameswaran K.N., Shi G.Y., and Klotz I.M. J. Med. Chem. 30 (1987) 936
7. ThieTle J., and StanTge O. Ann. Chem. 283 (1894) 1
8. Thiele J., and Stange O. Chem. Ber. 27 (1894) 31
9. Curtius T., and Heidenrcich K. Chem. Ber. 27 (1894) 55
10. Roesky H., and Glamser O. Chem. Ber. 97 (1964) 1710
11. Freund M., and Hempel H. Chem. Ber. 28 (1985) 74
12. Curtius T., and Heidenrcich K. J. Prakt. Chem. 105 (1903) 177
13. Lieber E., Rao C.N.R., Thomas A.E., Oftedahl E., Minnis R., and Nambury C.V.N. Spectrochim. Acta 19 (1963) 1135
14. Buder W., and Schmidt A. Spectrochim. Acta Part A: Mol. Biomol. Spectrosc. 29 (1973) 1429
15. Murthy E.K., and Rao G.R. Indian J. Pure Appl. Phys. 26 (1988) 546
16. Mohan S., Durairaj K.S.P., and Jose S.P. Spectrochim. Acta Part A 59 (2003) 1697
17. Lieber E., Rao C.N.R., Pillai C.N., Ramachandran J., and Hites R.D. Can. J. Chem. 36 (1958) 801
18. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Zakrzewski V.G., Montgomery Jr. J.A., Stratmann R.E., Burant J.C., Dapprich S., Millam J.M., Daniels A.D., Kudin K.N., Strain M.C., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochterski J., Petersson G.A., Ayala P.Y., Cui Q., Morokuma K., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Cioslowski J., Ortiz J.V., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Gomperts R., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Gonzalez C., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Andres J.L., Gonzalez C., Head-Gordon M., Replogle E.S., and Pople J.A. Gaussian 98, Revision A.6 (1998), Gaussian Inc., Pittsburgh, PA
19. Nguyen M.T., Hajanl M.R., and Vanguickenborne L.G. J. Mol. Struct. 231 (1991) 185
20. HyperChem™ version 5.01, Molecular Modeling System (1996), Hypercube, Waterloo, Ont., Canada
21. Suwaiyan A., and Morsy M.A. Spectrochim. Acta Part A 53 (1997) 575
22. Badawi H.M. J. Mol. Struct. (Theochem) 583 (2002) 89