Theoretical study of structures, bonding and mechanism on reaction of CpRu(PPh3)2SSiiPr3 with SCNR (R=Ph, 1-naphthyl)

Acta Chimica Sinica

Volumn 65, Issue 10, 2007, Pages 943-949

  Ding, Yang Jun ^a   Zhang, Zhen Wei ^a   Zhu, Shu Fen ^a   Bi, Si Wei ^a  

^a QUFU NORMAL UNIVERSITY   (China)

Author keywords

Density functional theory; Reaction mechanism; Ruthenium complex; Silyl migration

Indexed keywords

EID: 77949666507     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (24)

1. Shaver A., El-khateeb M., Lebuis A.M. Angew. Chem., Int. Ed. Engl. 1996, 35, 2362.
2. Kubas G.J., Ryan R.R. J. Am. Chem. Soc. 1985, 107, 6138.
3. Kubas G.J., Ryan R.R. Polyhedron 1986, 5, 473.
4. Kovacs I., Shaver A. J. Organomet. Chem. 2000, 596, 193.
5. Kovács I., Lebuis A.-M., Shaver A. Organometallics 2001, 20, 35.
6. Cramer C.S. Essentials of Computational Chemistry, Theories and Models Wiley, New York, 2002.
7. Hay P.J., Wadt W.R. J. Chem. Phys. 1985, 82, 270.
8. Wadt W.R., Hay P.J. J. Chem. Phys. 1985, 82, 284.
9. Hay P.J., Wadt W.R. J. Chem. Phys. 1985, 82, 299.
10. Huzinaga S. Gaussian Basis Sets for Molecular Calculations, Elsevier Science Amsterdam, 1984.
11. Hehre W., Radom J. L., Schleyer P.R., Pople J. A. Ab initio Molecular Orbital Theory, Wiley New York 1986.
12. Davidson E.R. Chem. Rev. 2000, 100, 351.
13. Bi S.W., Lin Z.Y., Jordan R.F. Organometallics 2004, 23, 4882.
14. Bi S.W., Ariafard A., Jia G.C., Lin Z.Y. Organometallics 2005, 24, 680.
15. Xue P., Bi S.W., Sung H.Y., Williams I.D., Lin Z.Y., Jia G.C. Organometallics 2004, 23, 4735.
16. Ariafard A., Bi S.W., Lin Z.Y. Organometallics 2005, 24, 2241.
17. Zhu X.F., Zhao B., Wang B., Zhao Y., Bi S.W. Chem. Phys. Lett. 2006, 422, 6.
18. Bi S.-W., Wang B., Gao Y.Z. Chin. J. Inorg. Chem. 2006, 22, 13 (in Chinese).
19. Gonzalez C., Schlegel H.B. J. Chem. Phys. 1989, 90, 2154.
20. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G. E., Robb M.A., Cheeseman J. R., Zakrzewski V.G., Montgomery J. A.J., Stratmann R.E., Burant J. C., Dapprich S., Millam J. M., Daniels A.D., Kudin K.N., Strain M.C., Farkas O., Tomasi J., Barone V., Cossi M., Cammi R., Mennucci B., Pomelli C., Adamo C., Clifford S., Ochterski J., Petersson G.A., Ayala P.Y., Cui Q., Morokuma K., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J. B., Cioslowski J., Ortiz J. V., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Gomperts R., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Gonzalez C., Challacombe M., Gill P.M.W., Johnson B.G., Chen W., Wong M.W., Andres J. L., Head-Gordon M., Replogle E.S., Pople J. A. Gaussian 98, Revision A.9, Gaussian Inc., Pittsburgh PA, 1998.
21. King C.L., Lin Z.Y. Eur. J. Inorg. Chem. 2002, 22, 3466.
22. Wai K.F., Huang X., Man L.M., Siu M.N., Huang M. Y., Lin Z.Y., Chak P.L. J. Am. Chem. Soc. 2003, 125, 11541.
23. King C.L., Lin Z.Y. Organometallics 2003, 22, 3466.
24. Albright T.A., Burdett J. K., Whangbo M.-H. Orbital Interactions in Chemistry, John Wiley & Sons, New York, 1985, pp. 369-372.