Computational study of reaction pathways in the course of interaction of deactivated silylenes with buta-1,3-diene

Journal of Organometallic Chemistry

Volumn 695, Issue 21, 2010, Pages 2345-2353

  Rynin, S S ^a   Faustov, V I ^a   Boganov, S E ^a   Egorov, M P ^a   Nefedov, O M ^a  

^a N D ZELINSKY INSTITUTE OF ORGANIC CHEMISTRY   (Russian Federation)

Author keywords

(2 + 1) Cycloaddition; (4 + 1) Cycloaddition; 1,3 Sigmatropic rearrangement; G3(MP2) B3LYP; Siliranes; Silylenes

Indexed keywords

(2 + 1) CYCLOADDITION; (4 + 1) CYCLOADDITION; G3(MP2)//B3LYP; SIGMATROPIC REARRANGEMENTS; SILIRANES; SILYLENES;

CYCLOADDITION; OLEFINS;

SILICON NITRIDE;

EID: 77956061141     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2010.06.023     Document Type: Article

References (32)

1. P.P. Gaspar M. Jones Jr. R.A. Moss, Reactive Intermediates vol. 1 1978 John Wiley & Sons Ltd. New York 229
2. P.P. Gaspar M. Jones Jr. R.A. Moss, Reactive Intermediates vol. 2 1981 John Wiley & Sons Ltd. New York 335
3. P.P. Gaspar M. Jones Jr. R.A. Moss, Reactive Intermediates vol. 3 1985 John Wiley & Sons Ltd. New York 333
4. P.P. Gaspar, and R. West Z. Rappoport, Y. Apeloig, The Chemistry of Organic Silicon Compounds vol. 2 1998 John Wiley & Sons Ltd. Chichester 2463
5. N. Tokitoh, and W. Ando R.A. Moss, M.S. Platz, M. Jones Jr. Reactive Intermediate Chemistry 2004 Wiley-Interscience New York 651
6. E. Kroke, S. Willms, M. Weidenbruch, W. Saak, S. Pohl, and H. Marsmann Tetrahed. Lett. 37 1996 3675
7. R. West, and M. Denk Pure Appl. Chem. 68 1996 785
8. N. Takeda, T. Kajiwara, H. Suzuki, R. Okazaki, and N. Tokitoh Chem. Eur. J. 9 2003 3530
9. S.S. Rynin, P.V. Kulikov, V.I. Faustov, S.E. Boganov, M.P. Egorov, and O.M. Nefedov J. Mol. Str. (THEOCHEM) 942 2010 60
10. M. Nag, and P.P. Gaspar Organometallics 28 2009 5612
11. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, and J.A. Pople Gaussian 03, Revision C.02 2004 Gaussian, Inc. Wallingford, CT
12. A.D. Becke J. Chem. Phys. 98 1993 5648
13. P.J. Stephens, F.J. Devlin, C.F. Chabalowski, and M.J. Frisch J. Phys. Chem. 98 1994 11623
14. C. Gonzalez, and H.B. Schlegel J. Chem. Phys. 90 1989 2154
15. C. Gonzalez, and H.B. Schlegel J. Phys. Chem. 94 1990 5523
16. A.G. Baboul, L.A. Curtiss, P.C. Redfern, and K. Raghavachari J. Chem. Phys. 110 1999 7650
17. R. Becerra, and R. Walsh Phys. Chem. Chem. Phys. 9 2007 2817
18. J.E. Baldwin Chem. Rev. 103 2003 1197
19. M. Takahashi, and M. Kira J. Am. Chem. Soc. 119 1997 1948
20. J.L. Margrave, and P.W. Wilson Acc. Chem. Res. 4 1971 145
21. E.A. Chernyshev, N.G. Komalenkova, and S.A. Bashkirova J. Organomettal. Chem. 271 1984 129
22. C.S. Liu, and T.L. Hwang H.J. Emeléus, A.G. Sharpe, Adv. Inorg. Chem. Radiochem vol. 29 1985 Academic Press New York 1
23. E.A. Chernyshev, and N.G. Komalenkova Russ. Chem. Rev. (Engl. Transl.) 58 1989 559
24. E.A. Chernyshev, and N.G. Komalenkova Russ. Chem. Rev. (Engl. Transl.) 59 1990 531
25. I. Safarik, V. Sandhu, E.M. Lown, O.P. Strausz, and T.N. Bell Res. Chem. Intermed. 14 1990 105
26. N. Goldberg, J.S. Ogden, M.J. Almond, R. Walsh, J.P. Cannady, R. Becerra, and J.A. Lee Phys. Chem. Chem. Phys. 5 2003 5371
27. S. Sakai Int. J. Quant. Chem. 70 1998 291
28. M.S. Gordon, and W. Nelson Organometallics 14 1995 1067
29. A.I. Ioffe, L.I. Korzhenevich, S.P. Kolesnikov, and O.M. Nefedov Bull. Acad. Sci. USSR, Div. Chem. Sci. (Engl. Transl.) 25 1976 323
30. M. Denk, R. Lennon, R. Hayashi, R. West, A.V. Belyakov, H.P. Verne, A. Haaland, M. Wagner, and N. Metzler J. Am. Chem. Soc. 116 1994 2691
31. Y. Mizuhata, T. Sasamori, and N. Tokitoh Chem. Rev. 109 2009 3479
32. T. Gans-Eichler, D. Gudat, K. Nättinen, and M. Nieger Chem. Eur. J 12 2006 1162