Ab initio Vibrational Analysis of Cyclopropene and Its 1-Methyl and 1,2-Dimethyl Derivatives

Russian Journal of Organic Chemistry

Volumn 33, Issue 6, 1997, Pages 791-797

  De Mare, G R ^b   Krasnoshchokov, S V ^a   Panchenko, Yu N ^a   Stepanov, N F ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b NONE

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031350528     PISSN: 10704280     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (31)

1. Kasai, P.H., Meyers, R.J, Eggers, D.F., and Wiberg, K.B., J. Chem. Phys., 1959, vol. 30, no. 2, pp. 512-516.
2. Eggers, D.F., Schultz, J.U., Uiberg, K.B., Wagner, E.L., Jackman, L.M, and Erskine, R.L., J. Chem. Phys., 1967, vol. 47, no. 3, pp. 946-955.
3. Mitchell, R.W., Dorko E.A., and Merritt, J.A., J. Mol. Spectrosc., 1968, vol. 26, no. 2, pp. 197-212.
4. Stigliani, W.M, Laurie, V.W., and Li, J.C., J. Chem. Phys., 1975, vol. 62, no. 5, p. 1890.
5. Wiberg, K.B., Ellison, G.B., Uendoloski, J.J., Pratt, U.E., and Harmony, W.D., J. Am. Chem. Soc., 1978, vol. 100, no. 25, pp. 7837-7840.
6. Wiberg, K.B., and Wendoloski, J.J., J. Phys. Chem., 1979, vol. 83, no. 4, pp. 497-501.
7. Yum, T.Y., and Eggers, D.F., Jr., J. Phys. Chem., 1979, vol. 83, no. 4, pp. 501-506.
8. Eckert-Maksic, M., Maksic, Z.B., J. Mol. Struct., 1982, vol. 86, no. 4, pp. 325-340.
9. Hess, B.A., Schaad, L.J., Carsky, P., and Zahradnik, R., Chem. Rev., 1986, vol. 86, no. 4, pp. 709-730.
10. Wiberg, K.B., Dempsey, R.C., and Wendoloski, J.J., J. Phys. Chem., 1984, vol. 88, no. 23, pp. 5596-5603.
11. Vrtilek, J.M., Gottlieb, C.A., Le Page, T.E., and Thaddeus, P., Astrophys. J., 1987, vol. 316, pp. 826-829.
12. Craig, N.C. and Pranata, J., J. Phys. Chem., 1987, vol. 91, no. 7, pp. 1764-1769.
13. Closs, G.L., Advances in Alicyclic Chemistry, Academic Press, 1966, pp. 70-75.
14. Kemp, M.K., Flygare, W.H., J. Am. Chem. Soc., 1967, vol. 89, no. 15, pp. 3925-3926.
15. Mitchell, R.W. and Merritt, J., Spectrochim. Acta, 1969, vol. 25A, no. 12, pp. 1881-1889.
16. Doering, E.W. and Mole, T., Tetrahedron, 1960, vol. 10, nos. 1-2, pp. 65-70.
17. Panchenko, Yu.N., Russ. Chem. Bull., 1996, no. 4, pp. 753-760.
18. Blom, C.E. and Altona, C., Mol. Phys., 1976, vol. 31, p. 1377.
19. Frisch, M.J., Trucks, G.U., Head-Gordon, M., Gill, P.M.W., Wong, M.W., Foresman, J.S., Johnson, B.C., Schlegel, H.B., Robb, M.A., Replogle, E.S., Gomperts, R., Andres, J.L., Raghavachari, K., Binkley, J.S., Gonzalez, C., Martin, R.L., Fox, D.J., Defrees, D.J., Baker, J., Stewart, J.J.P., and Pople, J.A., GAUSSIAN92, Revision C.4, Gaussian Inc., Pittsburgh, 1992.
20. Hariharan, P.C. and Pople, J.A., Chem. Phys. Lett., 1972, vol. 16, no. 2, pp. 217-219.
21. Pulay, P., Fogarasi, G., Pang, F., and Boggs, J.E., J. Am. Chem. Soc., 1979, vol. 101, no. 10, pp. 2550-2560.
22. Pulay, P., Applications of Electronic Structure Theory, Ed., Schaefer, H.F., New York: Plenum Press, 1977, pp. 153-185.
23. Fogarasi, G. and Pulay, P., Annual Rev. Phys. Chem., 1984, vol. 35, pp. 191-213.
24. Fogarasi, G. and Pulay, P., Vibrational Spectra and Structure, Ed. J.R. Durig, Amsterdam: Elsevier, 1985, vol. 14, pp. 125-219.
25. Pupyshev, V.I., Panchenko, Yu.N., Bock, Ch.W., and Pongor, G., J. Chem. Phys., 1991, vol. 94, no. 2, pp. 1247-1252.
26. Panchenko, Yu.N., De Mare, G.R., and Pupyshev, V.I., J. Phys. Chem., 1995, vol. 99, no. 49, pp. 17544-17550.
27. Peterson, M.R. and Poirier, R.A., MONSTERGAUSS, 1986.
28. Mayer, J., Int. J. Quantum Chem., 1986, vol. 29, p. 270.
29. Panchenko, Yu.N., Mochalov, V.I., Pupyshev, V.I., Stepanov, N.F., Török, F., Pulay, P., Fogarasi, G., and Pongor, G., Moscow Univ. Chem. Bull., 1980, 35, no. 5, pp. 46-50.
30. Snyder, R. G., J. Chem. Phys., 1967, vol. 47, no. 4., pp. 1316-1360.
31. Wilson, E.B., Decius, J.C., and Cross, P.O., Molecular Vibrations, New York: McGraw-Hill, 1955.