Azido-tetrazole equilibrium in 2-azidothiazole system. Molecular orbital calculations

Journal of Molecular Structure: THEOCHEM

Volumn 895, Issue 1-3, 2009, Pages 142-147

  Abu Eittah, Rafie H ^a   Taha, F ^b   Hamed, M M ^a   El Kelany, Kh E ^b  

^a CAIRO UNIVERSITY   (Egypt)

^b Minia University ^*  (Egypt)

Author keywords

Azidothiazole; Ring closure; Tautomerization; Thiazolo tetrazole

Indexed keywords

EID: 58249125786     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.10.029     Document Type: Article

References (22)

1. Reynolds G.A., Van Allan J.A., and Tinker J.F. J. Org. Chem. 24 (1959) 1205
2. Boyer J.H., and Canter F.C. Chem. Revs. 54 (1954) 22
3. Benion C., Hartzel L., and Otten E. J. Am. Chem. Soc. 76 (1954) 1859
4. Temple Jr. C., and Montogomery J.A. J. Org. Chem. 30 (1965) 828
5. Temple Jr. C., Mckee R.L., and Montogomery J.A. J. Org. Chem. 30 (1965) 829
6. Temple Jr. C., Thorpe M.C., Cobourn Jr. W.C., and Montogomery J.A. J. Org. Chem. 31 (1966) 935
7. Boyer J.H., and Miller E.J. J. Am. Chem. Soc. 81 (1959) 4671
8. Smith P.A.S., Hall J.H., and Kan R.O. J. Am. Chem. Soc. 84 (1962) 485
9. Postovskii I.Ya., and Smitnova N.B. Dokl. Akad. Nauk. (SSSR) 166 (1966) 1136
10. Cubero E., Orozco M., and Luque F.J. J. Am. Chem. Soc. 120 (1998) 4723
11. Francle M.M., Pietro W.J., Hehre W.J., Binkley J.S., Gordon M.S., Defrees D.J., and Pople J.A. J. Chem. Phys. 77 (1982) 3654
12. Schaefer T., Wildman T.A., and Salman R.H. J. Am. Chem. Soc. 102 (1980) 107
13. Schaefer T., Salman S.R., Wildman T.A., and Clark P.D. Can. J. Chem. 60 (1982) 342
14. David J.D., and Hallam H.E. Spectrochim. Acta 21 (1965) 841
15. Becke A.D. J. Chem. Phys. 98 (1993) 5648
16. Martin J.M., El-Yazal J., and Francois J. Mol. Phys. 86 (1995) 1437
17. El-Azhary A.A., and Suter H.U. J. Phys. Chem. 100 (1996) 15056
18. Zuilhof H., Dinnocenzo J.P., Reddy A.C., and Shaik S. J. Phys. Chem. 100 (1996) 15774
19. Mc-Querrie D. Statistical Mechanics (1976), Harper & Brown, New York
20. Schmidt M.W., et al. J. Comput. Chem. 14 (1993) 1347
21. Chang R. Physical Chemistry with Applications to Biological Systems. Collier Macmillan International Editions (1977), Macmillan Publishing Co., Inc., New York p. 115
22. Abu-Eittah R.H., and Khedr M.K. J. Mol. Struct. (THEOCHEM) 822 (2007) 74