Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 5-chloro-10-oxa-3-thia-tricyclo[5.2.1.01,5]dec-8-ene-3,3-dioxide

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 69, Issue 1, 2008, Pages 105-112

  Arslan, Hakan ^a   Demircan, Aydin ^b   Göktürk, Ersen ^b  

^a MERSIN UNIVERSITY   (Turkey)

^b NIGDE UNIVERSITY   (Turkey)

Author keywords

Cycloaddition; DFT; HF; IMDA; Infrared spectrum; Molecular calculations; Tricyclic sulfones

Indexed keywords

INFRARED SPECTRUM; MOLECULAR CALCULATIONS; TRICYCLIC SULFONES; VIBRATIONAL BANDS;

CYCLOADDITION; DENSITY FUNCTIONAL THEORY; INFRARED SPECTROSCOPY; VIBRATIONAL SPECTRA;

SULFUR COMPOUNDS;

5 CHLORO 10 OXA 3 THIA TRICYCLO(5.2.1.0(1,5))DEC 8 ENE 3,3 DIOXIDE; 5-CHLORO-10-OXA-3-THIA-TRICYCLO(5.2.1.0(1,5))DEC-8-ENE-3,3-DIOXIDE; FUSED HETEROCYCLIC RINGS; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; INFRARED SPECTROSCOPY; SYNTHESIS; VIBRATION;

HETEROCYCLIC COMPOUNDS, 3-RING; MODELS, CHEMICAL; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; VIBRATION;

EID: 37349073426     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2007.03.015     Document Type: Article

References (24)

1. Thiemann T., Ohira D., Yuangiang L., Sawada T., Mataka S., Rauch K., Noltmeyer M., and de Meijere A. J. Chem. Soc. Perkin Trans. (2000) 2968
2. Raasch S.M. J. Org. Chem. 45 (1980) 856
3. Gronowitz S., Nikiditis G., Hallberg A., and Servin R. J. Org. Chem. 53 (1988) 3351
4. Yeo S.-K., Shiro M., and Kanematsu K. J. Org. Chem. 59 (1994) 1621
5. Supuran C., Casini A., and Scozzafava A. Med. Res. Rev. 23 (2003) 535
6. Gotz M.G., Caffrey C.R., Hansell E., McKerrow J.H., and Powers J.C. Bioorg. Med. Chem. 12 (2004) 5203
7. Meadows D.C., Mathews T.B., North T.W., Hadd M.J., Kuo C.L., Neamati N., and Gervay-Hague J. J. Med. Chem. 48 (2005) 4526
8. Nenadejdenko V.G., Gavryushin A.E., and Balenkova E.S. Tetrahedron Lett. 42 (2001) 4397
9. Demircan A., and Parsons P.J. Heterocycl. Commun. 8 (2002) 531
10. Demircan A., Karaarslan M., and Turac E. Heterocycl. Commun. 12 (2006) 233
11. Kosar B., Gokturk E., Demircan A., and Buyukgungor O. Acta Crystallogr. E62 (2006) o4192
12. Williamson A.W. J. Chem. Soc. 4 (1852) 229
13. 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., Salvador P., Dannenberg J.J., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Cioslowski J., Ortiz J.V., Baboul A.G., 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 03, Revision C.02 (2003), Gaussian Inc., Pittsburgh, PA
14. Foresman J.B., and Frisch E. Exploring Chemistry with Electronic Structure Methods: A Guide to Using Gaussian (1993), Gaussian, Pittsburg, PA
15. Scott A.P., and Radom L. J. Phys. Chem. 100 41 (1996) 16502
16. R. Dennington, T. Keith, J. Millam, K. Eppinnett, W.L. Hovell, R. Gilliland, GaussView, Version 3.07, Semichem, Inc., Shawnee Mission, KS, 2003.
17. M.H. Jamróz, Vibrational Energy Distribution Analysis VEDA 4, Warsaw, 2004.
18. Arslan H., and Ozpozan T. Asian J. Chem. 18 3 (2006) 1815
19. Krishnakumar V., and Ramasamy R. Spectrochim. Acta Part A 62 (2005) 570
20. Silverstein M., Clayton Basseler G., and Morill C. Spectrometric Identification of Organic Compounds (1981), Wiley, New York
21. Polovková J., Gatial A., Milata V., Černuchová P., Prónayová N., Liptaj T., and Matejka P. J. Mol. Struct. 785 (2006) 85
22. Feairheller W.R., and Katon J.E. Spectrochim. Acta 20 (1964) 1099
23. Fernández L.E., Altabef A.B., Navarro A., Gómez M.F., and Varetti E.L. Spectrochim. Acta Part A 56 (2000) 1101
24. Arslan H., Flörke U., and Külcü N. Spectrochim. Acta Part A 67 (2007) 936