Molecular structures, conformations, and vibrational spectra of bicyclo[3.1.0]hexane and its oxygen analogues

Journal of Molecular Structure

Volumn 519, Issue 1-3, 2000, Pages 75-84

  Kang, P ^a   Choo, J ^a   Jeong, M ^b   Kwon, Y ^b  

^a Hanyang University   (South Korea)

^b Hanyang University   (South Korea)

Author keywords

3,6 Dioxa 3.1.0 hexane; 3 Oxabicyclo 3.1.0 hexane; 6 Oxabicyclo 3.1.0 hexane; Bicyclo 3.1.0 hexane; Density functional theory; Ring puckering potential energy function

Indexed keywords

CYCLOHEXANE DERIVATIVE; OXYGEN DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; ELECTRON DIFFRACTION; ENERGY; RAMAN SPECTROMETRY; THEORY; VIBRATION;

EID: 0034728476     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(99)00292-6     Document Type: Article

References (25)

1. Lafferty W.J. J. Mol. Spectrosc. 36:1970;84.
2. Creswell R.A., Lafferty W.J. J. Mol. Spectrosc. 46:1973;371.
3. Malloy T.B. Jr. J. Mol. Spectrosc. 49:1974;432.
4. Cook R.L., Malloy T.B. Jr. J. Am. Chem. Soc. 96:1974;1703.
5. Mastryukov V.S., Osina E.L., Vilkov L.V., Hilderbrandt R.L. J. Am. Chem. Soc. 99:1977;6855.
6. Shen Q., Mastryukov V.S., Boggs J.E. J. Mol. Struct. 352/353:1995;181.
7. Mjöberg P.J., Almlöf J. Chem. Phys. 29:1978;201.
8. Skancke P.N. J. Mol. Struct. 86:1982;255.
9. Wiberg K.B., Bonneville G., Dempsey R. Isr. J. Chem. 23:1983;85.
10. Siam K., Ewbank J.D., Schäfer L. J. Mol. Struct.; Theochem. 150:1987;121.
11. Okazaki R., Niwa J., Kato S. Bull. Chem. Soc. Jpn. 61:1988;1619.
12. Carriera L.A., Lord R.C. J. Chem. Phys. 51:1969;2735.
13. Lord R.C., Malloy T.B. Jr. J. Mol. Spectrosc. 46:1973;358.
14. Lewis J.D., Laane J. J. Chem. Phys. 61:1974;2342.
15. Choo J., Chiang W.Y., Lee S.N., Laane J. J. Phys. Chem. 99:1995;11636.
16. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowsski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian 94, (Revision D.2), Gaussian Inc., Pittsburgh, PA, 1995.
17. Laird B.B., Ross R.B., Ziegler T. Chemical Applications of Density Functional Theory. ACS Symposium Series. 1996;American Chemical Society, Washington DC. pp. 1-141.
18. Yoshida H., Matsuura H. J. Phys.Chem. A. 102:1998;2691.
19. El-Azhary A.A., Suter H.U., Kubelka J. J. Phys. Chem. A. 102:1998;620.
20. Grafton A., Wheeler R. J. Phys. Chem. A. 101:1997;7154.
21. Lee S., Boo B. J. Phys.Chem. 100:1996;8782.
22. Scott A.P., Radom L. J. Phys. Chem. 100:1996;16 502.
23. Allinger N.L., Yuh Y.H. J. Am. Chem. Soc. 111:1989;8551.
24. Lii J.H., Allinger N.L. J. Am. Chem. Soc. 111:1989;8556.
25. Lii J.H., Allinger N.L. J. Am. Chem. Soc. 111:1989;8576.