Ab initio evaluation of the equilibria between isomeric cyclooctadienes

Journal of Molecular Catalysis A: Chemical

Volumn 111, Issue 1-2, 1996, Pages 109-112

  La Manna, Gianfranco ^a   Duca, Dario ^b  

^a UNIVERSITY OF PALERMO   (Italy)

^b Ist di Chim e Tecn dei P   (Italy)

Author keywords

Ab initio calculations; Cyclooctadienes; Isomerisation

Indexed keywords

EID: 0030578882     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/1381-1169(96)00173-2     Document Type: Article

References (17)

1. [1] W. Holtrup, R. Streck, W. Zaar and D. Zerpner, J. Mol. Cat. 36 (1986) 127.
2. [2] J. Kaspar, M. Graziani, G. Dolcetti, A. Trovarelli and R. Ganzerla, J. Mol. Cat. 48 (1988) 29; J. Kaspar, M. Graziani, A. Trovarelli and G. Dolcetti, J. Mol. Cat. 55 (1989) 229; C. Ebert, T. Gianferrara, M. Graziani, J. Kaspar, P. Linda and A. Trovarelli, J. Catal. 124 (1990) 443; A. Trovarelli, G. Dolcetti, J. Kaspar and M. Graziani, J. Catal. 129 (1991) 288.
3. [2] J. Kaspar, M. Graziani, G. Dolcetti, A. Trovarelli and R. Ganzerla, J. Mol. Cat. 48 (1988) 29; J. Kaspar, M. Graziani, A. Trovarelli and G. Dolcetti, J. Mol. Cat. 55 (1989) 229; C. Ebert, T. Gianferrara, M. Graziani, J. Kaspar, P. Linda and A. Trovarelli, J. Catal. 124 (1990) 443; A. Trovarelli, G. Dolcetti, J. Kaspar and M. Graziani, J. Catal. 129 (1991) 288.
4. [2] J. Kaspar, M. Graziani, G. Dolcetti, A. Trovarelli and R. Ganzerla, J. Mol. Cat. 48 (1988) 29; J. Kaspar, M. Graziani, A. Trovarelli and G. Dolcetti, J. Mol. Cat. 55 (1989) 229; C. Ebert, T. Gianferrara, M. Graziani, J. Kaspar, P. Linda and A. Trovarelli, J. Catal. 124 (1990) 443; A. Trovarelli, G. Dolcetti, J. Kaspar and M. Graziani, J. Catal. 129 (1991) 288.
5. [2] J. Kaspar, M. Graziani, G. Dolcetti, A. Trovarelli and R. Ganzerla, J. Mol. Cat. 48 (1988) 29; J. Kaspar, M. Graziani, A. Trovarelli and G. Dolcetti, J. Mol. Cat. 55 (1989) 229; C. Ebert, T. Gianferrara, M. Graziani, J. Kaspar, P. Linda and A. Trovarelli, J. Catal. 124 (1990) 443; A. Trovarelli, G. Dolcetti, J. Kaspar and M. Graziani, J. Catal. 129 (1991) 288.
6. [3] D. Duca, L.F. Liotta and G. Deganello, J. Catal. 154 (1995) 69.
7. [4] D. Duca, unpublished results.
8. [5] A.J. Silvestri, C.D. Prater and J. Wei, Chem. Eng. Sci. 23 (1968) 1191; 25 (1970) 407.
9. [5] A.J. Silvestri, C.D. Prater and J. Wei, Chem. Eng. Sci. 23 (1968) 1191; 25 (1970) 407.
10. [6] J. Wei and C.D. Prater, Adv. Cat. 13 (1962) 203.
11. [7] N.L. Allinger, J.F. Viskocil, U. Burkert and Y. Yuh, Tetrahedron 32 (1976) 33.
12. [8] E. Taskinen and K. Nummelin, Acta Chem. Scand. Ser. B 39 (1985) 791.
13. [9] M.J. Frish, M. Head-Gordon, G.W. Trucks, J.B. Foresman, H.B. Schlegel, K. Raghavachari, M. Robb, J.S. Binkley, C. Gonzalez, D.J. Defrees, D.J. Fox, R.A. Whiteside, R. Seeger, C.F. Melius, J. Baker, R.L. Martin, L.R. Kahn, J.J.P. Stewart, S. Topiol and J.A. Pople, Gaussian 90, Revision J. (Gaussian Inc., Pittsburgh, PA, 1990).
14. [10] N.L. Allinger and J.T. Sprague, Tetrahedron 31 (1975) 21; F.A.L. Anet and I. Yavari, Tetrahedron Lett. (1975) 1567 ; G. Favini, F. Zuccarello and G. Buemi, J. Mol. Struct. 3 (1969) 385.
15. [10] N.L. Allinger and J.T. Sprague, Tetrahedron 31 (1975) 21; F.A.L. Anet and I. Yavari, Tetrahedron Lett. (1975) 1567 ; G. Favini, F. Zuccarello and G. Buemi, J. Mol. Struct. 3 (1969) 385.
16. [10] N.L. Allinger and J.T. Sprague, Tetrahedron 31 (1975) 21; F.A.L. Anet and I. Yavari, Tetrahedron Lett. (1975) 1567 ; G. Favini, F. Zuccarello and G. Buemi, J. Mol. Struct. 3 (1969) 385.
17. [11] M. Trætteberg, Acta Chem. Scand. 24 (1970) 2.