Reaction of carbon atoms with H2Cl+: An ab initio study of a possible interstellar process

Journal of Molecular Structure: THEOCHEM

Volumn 363, Issue 3, 1996, Pages 319-331

  Rayón, Victor M ^a   Barrientos, Carmen ^a,b   Largo, Antonio ^a,b  

^a UNIVERSITY OF OVIEDO   (Spain)

^b UNIVERSITY OF VALLADOLID   (Spain)

Author keywords

Ab initio calculation; Chlorine; Interstellar chemistry; Ion molecule reaction; Molecular structure

Indexed keywords

EID: 0001249714     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/0166-1280(95)04451-5     Document Type: Article

References (27)

1. W.W. Duley and D.A. Williams, Interstellar Chemistry, Academic Press, London, 1984.
2. B.E. Turner, Space Sci. Rev., 51 (1989) 235.
3. D. Smith, Chem. Rev., 92 (1992) 1473.
4. G.A. Blake, V.G. Anicich and W.T. Huntress, Astrophys. J., 300 (1986) 415.
5. J. Cernicharo and M. Guelin, Astron. Astrophys., 183 (1987) L10.
6. E.F. van Dishoeck, M.C. Hemert and A. Dalgarno, J. Chem. Phys., 77 (1982) 3693.
7. V.G. Anicich, W.T. Huntress and J. Futrell, Chem. Phys. Lett., 40 (1976) 233.
8. V.G. Anicich and W.T. Huntress, Astrophys. J. Suppl., 62 (1986) 553.
9. C. Rebrion, J.B. Marquette, B.R. Rowe and D.C. Clary, Chem. Phys. Lett., 143 (1988) 130.
10. D.M. Sonnenfroh and J.M. Farrar, Astrophys. J., 335 (1988) 491.
11. C.E. Dateo and D.C. Clary, J. Chem. Phys., 90 (1989) 7216.
12. C. Barrientos, A. Largo, P. Redondo, F. Pauzat and Y. Ellinger, J. Phys. Chem., 97 (1993) 173.
13. M. Gruebele, M. Polak, G.A. Black and R.J. Saykally, J. Chem. Phys., 85 (1986) 6276.
14. 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.H. DeFrees, J. Baker, J.J.P. Stewart and J.A. Pople, GAUSSIAN 92, Gaussian Inc., Pittsburgh, PA, 1992.
15. P.C. Hariharan and J.A. Pople, Theor. Chim. Acta, 28 (1973) 213.
16. M.M. Francl, W.J. Pietro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J. DeFrees and J.A. Pople, J. Chem. Phys., 77 (1982) 3654.
17. J.A. Pople and R. Krishnan, Int. J. Quantum Chem., 14 (1978) 91.
18. R. Krishnan, M.J. Frisch and J.A. Pople, J. Chem. Phys., 72 (1980) 4244.
19. R. Krishnan, J.S. Binkley, R. Seeger and J.A. Pople, J. Chem. Phys., 72 (1980) 650.
20. A.D. McLean and G.S. Chandler, J. Chem. Phys., 72 (1980) 5639.
21. J.A. Pople, M. Head-Gordon, D.J. Fox, K. Raghavachari and L.A. Curtis, J. Chem. Phys., 90 (1989) 5622.
22. H.B. Schlegel, J. Chem. Phys., 84 (1986) 4530.
23. H.B. Schlegel, J. Chem. Phys., 92 (1988) 3075.
24. D.J. DeFrees and A.D. McLean, J. Chem. Phys., 82 (1985) 333.
25. R.F.W. Bader, Atoms in Molecules. A Quantum Theory, Clarendon Press, Oxford, 1990.
26. F.W. Biegler-Konig, R.F.W. Bader and T.H. Tang, J. Comput. Chem., 27 (1980) 1924.
27. D. Cremer and E. Kraka, Croat. Chem. Acta, 57 (1984) 1259.