Abstract
Ab initio calculations on the parent hexasilaprismane (2) and its less stable valence isomers hexasilabenzene (1) and hexasila Dewarbenzene (3) have been performed. Calculated transition structures for the interconversion of the isomers indicate kinetic instability of the isomers1 and3.Ab initio (Cl(S) calculations on the S1 photochemistry of the isomers explain the features of the recently observed UV spectra.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
A. F. Sax and R. Janoschek. Proceedings of the 4th International Symposium on Inorganic Ring Systems, Université Paris-Sud, Sept. 2 6 (1985).
A. F. Sax and R. Janoschek,Angew. Chem. 98, 634 (1986);Angew. Chem. Int. Ed. Engl. 25, 651 (1986).
Note inChem. Eng. News 64, 32 (1986).
S. Nagase, T. Kudo, and M. Aoki,J. Chem. Soc. Chem. Commun. 1121 (1985).
S. Nagase, H. Teramae, and T. Kudo,J. Chem. Phys. 86, 4513 (1987).
S. Nagase, M. Nakano, and T. Kudo.J. Chem. Soc. Chem. Commun. 60 (1987).
D. A. Clabo and H. F. Schaefer,J. Chem. Phys. 84, 1664 (1986).
A. Sekiguchi, T. Yatabe, C. Kabuto, and H. Sakurai,J. Am. Chem. Soc. 115 5853 (1993).
M. J. Frisch, G. W. Trucks, M. Head-Gordon, P. M. W. Gill, M. W. Wong, J. B. Foresman, B. G. Johnson, H. B. Schlegel, M. A. Robb, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzalez, R. L. Martin, D. J. Fox, D. J. Defrees, J. Baker, J. J. P. Stewart, and J. A. Pople,GAUSSIAN 92, Revision C.4 Gaussian, Inc., Pittsburgh, PA, 1992).
P. J. Hay and W. R. Wadt,J. Chem. Phys. 82, 270, 284, 299 (1985).
M. Meisl and R. Janoschek,J. Chem. Soc. Chem. Commun. 1066 (1986)
I. J. Palmer, I. N. Ragazos, F. Bernardi, M. Olivucci, and M. A. Robb,J. Am. Chem. Soc. 115, 673 (1993).
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Janoschek, R. Si6H6 revisited: The hexasilaprismane-to-hexasilabenzene and hexasila-dewarbenzene interconversion. J Inorg Organomet Polym 5, 155–161 (1995). https://doi.org/10.1007/BF01058143
Received:
Revised:
Issue Date:
DOI: https://doi.org/10.1007/BF01058143