Conformational and stereoelectronic investigation of chloromethyl methyl sulfide and its sulfinyl and sulfonyl analogs

Journal of Molecular Structure

Volumn 800, Issue 1-3, 2006, Pages 45-50

  Ducati, Lucas C ^a   Freitas, Matheus P ^b   Tormena, Cláudio F ^c   Rittner, Roberto ^a  

^a UNIVERSITY OF CAMPINAS   (Brazil)

^b Lavras Federal University   (Brazil)

^c UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

Hyperconjugation; Infrared; NBO; NMR; Sulfur compounds

Indexed keywords

CHEMICAL BONDS; CONFORMATIONS; DERIVATIVES; INFRARED RADIATION; NUCLEAR MAGNETIC RESONANCE; ROTATION;

CHLOROMETHYL METHYL SULFIDE; HYPERCONJUGATION; NBO; ORBITAL INTERACTIONS;

SULFUR COMPOUNDS;

EID: 84961982818     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.03.085     Document Type: Article

References (17)

1. Voet D., and Voet J.G. Biochemistry. 2nd ed. (1995), Wiley, New York
2. Kirby A.J. Stereoelectronic Effects (2000), Oxford University Press, Bath-UK
3. Anderson E., Cai J., and Davies A.G. J. Chem. Soc. Perkin Trans. 2 (1997) 2633
4. Antúnez S., and Juaristi E. J. Org. Chem. 61 (1996) 6465
5. Juaristi E., Cuevas G., and Vels A. J. Am. Chem. Soc. 116 (1994) 5796
6. Juaristi E., and Cuevas G. Tetrahedron Lett. 33 (1992) 1847
7. Van der Veken B.J., Guirgis G.A., Liu J., Durig J.R., and Raman J. Spectrosc. 23 (1992) 205
8. Durig J.R., Liu J., Guirgis G.A., and Van der Veken B.J. Struct. Chem. 4 (1993) 103
9. Guirgis G.A., Van der Veken B.J., Liu J., and Durig J.R. Spectrochim. Acta A 49 (1993) 1947
10. Durig J.R., Durig T.D., Robb II J.B., Guirgis G.A., Zhen M., Phan H.V., and Raman J. Spectrosc. 31 (2000) 203
11. Becke A.D. Phys. Rev. A 38 (1988) 3098
12. Lee C.T., Yang W.T., and Parr R.G. Phys. Rev. B 37 (1988) 785
13. Miertus S., Scrocco E., and Tomasi J. Chem. Phys. 55 (1981) 117
14. E.D. Glendening, A.E. Reed, J.E. Carpenter, F. Weinhold, NBO version 3.1; Included in the Gaussian98 package of programs; F. Weinhold, The Encyclopedia of Computational Chemistry, ed. P.V.R. Schleyer, John Wiley & Sons, Chichester, 1998, 1792-1811; F. Weinhold, C. Landis, Valency and Bonding A Natural Bond Orbital Donor-Acceptor Perspective, Cambridge University Press, Cambridge, 2005.
15. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomeli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, J.L. Andres, M. Head-Gordon, E.S. Replogle and J.A. Pople, Gaussian 98, Revision A.7, Gaussian, Pittsburgh, 1998.
16. Tsuchira G.I., and Ogura K. Bull. Chem. Soc. Jap. 44 (1971) 1726
17. Ogura K., Suzuki M., and Tsuchiha G.I. Bull. Chem. Soc. Jap. 53 (1980) 1414