DFT(B3LYP) calculations of silatranes and their radical cations. First ionization potentials

Journal of Structural Chemistry

Volumn 46, Issue 6, 2005, Pages 1072-1076

  Belyaeva, V V ^a   Frolov, Yu L ^a   Voronkov, M G ^a  

^a A E FAVORSKY IRKUTSK INSTITUTE OF CHEMISTRY   (Russian Federation)

Author keywords

Ab initio quantum chemical calculations; Ionization potential; Silatranes

Indexed keywords

EID: 33748927945     PISSN: 00224766     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10947-006-0244-5     Document Type: Article

References (11)

1. M. G. Voronkov, V. M. D'yakov, and S. V. Kirpichenko, J. Organomet. Chem., 233, No. 1, 1-147 (1982).
2. S. N. Tandura, M. G. Voronkov, and N. V. Alekseev, Topics in Current Chemistry, 131, 99-189 (1988).
3. V. A. Pestunovich, S. V. Kirpichenko, and M. G. Voronkov, The Chemistry of Organic Silicon Compounds, Z. Rappoport and Y. Apeloig (eds.), Vol. 2, Wiley (1998), pp. 1443-1537.
4. J. B. Peel and D. J. Wang, J. Chem. Soc., Dalton Trans., 7, 1963-967 (1988).
5. S. Cradock, E. A. Ebsworth, and J. B. Muire, J. Chem. Soc., Dalton Trans. ibid., 1, 25-28 (1975).
6. M. G. Voronkov, E. I. Brodskaya, V. V. Belyaeva, and N. F. Lazareva, Izv. Ross. Akad. Nauk, No. 5, 725-731 (2001).
7. V. V. Belyaeva and M. G. Voronkov, Zh. Strukt. Khim., 42, No. 4, 826/827 (2001).
8. V. F. Sidorkin and G. K. Balakhchi, Struct. Chem., 5, 189-195 (1994).
9. M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al., Gaussian 98W, Revision A.6, Gaussian, Inc., Pittsburgh, PA (1998).
10. Q. Shen and R. L. Hilderbrandt, J. Mol. Struct., 64, 257-262 (1980).
11. G. Forgacs, M. Kolonits, and I. Hargittai, Struct. Chem., 1, 245-250 (1990).