How does microhydration impact on structure, spectroscopy and formation of disulfide radical anions? An ab initio investigation on dimethyldisulfide

Chemical Physics Letters

Volumn 481, Issue 4-6, 2009, Pages 173-179

  Geronimo, Inacrist ^a   Chéron, Nicolas ^a   Fleurat Lessard, Paul ^a   Dumont, Élise ^a  

^a UNIVERSITÉ DE LYON   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO INVESTIGATION; DIMETHYL DISULFIDES; MICRO-HYDRATION; OPTIMAL VALUES; RADICAL ANIONS; UV-VIS ABSORPTIONS; WATER CLUSTER; WATER MOLECULE;

HYDROGEN BONDS; MOLECULES; NEGATIVE IONS;

WATER ABSORPTION;

EID: 71049131235     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.09.079     Document Type: Article

References (34)

1. Wedemeyer W.J., Welker E., Narayan M., and Scheraga H.A. Biochemistry 39 (2000) 4207
2. Lu H.S.M., Volk M., Kholodenko Y., Gooding E., Hochstrasser R.M., and Degrado W.F. J. Am. Chem. Soc. 119 (1997) 7173
3. Kolano C., Helbing J., Kozinski M., Sander W., and Hamm P. Nature 444 (2006) 469
4. Wong Shi Kam N., Liu Z., and Dai H. J. Am. Chem Soc. 127 (2005) 12492
5. Fourre I., and Silvi B. Het. Chem. 18 (2007) 135
6. Ramakrishna D.N., Fischer V., and Mason R.P. J. Biol. Chem. 15 (1990) 844
7. Lawrence C.C., Bennati M., Obias H.V., Bar G., Griffin R.G., and Stubbe J. Proc. Natl. Acad. Sci. USA 96 (1999) 8979
8. Weik M., Ravelli R.B., Silman I., Sussman J.L., Gros P., and Kroon J. Proc. Natl. Acad. Sci. USA 97 (2000) 623
9. Carles S., et al. J. Phys. Chem. A 105 (2001) 5622
10. Dumont E., Loos P.-F., and Assfeld X. Chem. Phys. Lett. 458 (2008) 276
11. Dumont E., Loos P.-F., and Assfeld X. J. Phys. Chem. B 112 (2008) 13661
12. Sawicka A., Berdys-Kochanska J., Skurski P., and Simons J. Int. J. Quant. Chem. 102 (2005) 838
13. Rickard G.A., Bergès J., Houée-Levin C., and Rauk A. J. Phys. Chem. B 112 (2008) 5774
14. Dumont E., Loos P.-F., Laurent A.D., and Assfeld X. J. Chem. Theor. Comput. 4 (2008) 1171
15. Kumar A., Sevilla M.D., and Suhai S. J. Phys. Chem. B 112 (2008) 5189
16. Gu J., Xie Y., and Schaefer III H.F. Chem. Phys. Lett. 473 (2009) 213
17. Soler F.FusterP., Berges J., and Chevreau H. Chem. Phys. Lett. 411 (2005) 117
18. Gauduel Y., Launay T., and Hallou A. J. Phys. Chem. A 106 9 (2002) 1727
19. Braida B., Thogersen L., Wu W., and Hiberty P.C. J. Am. Chem Soc. 124 (2002) 11781
20. Braida B., Hiberty P.C., and Savin A.J. J. Phys. Chem. A 102 (1998) 7872
21. Hiberty P.C., Humbel S., Danovich D., and Shaik S. J. Am. Chem. Soc. 117 (1995) 9003
22. Møller C., and Plesset M.S. Phys. Rev. 46 (1934) 618
23. E. Dumont, P.-F. Loos, A.D. Laurent, X. Assfeld, Int. J. Quant. Chem., in press, doi:10.1002/qua.22072.
24. M.J. Frisch et al., Gaussian 03, Revision C.02, Gaussian, Inc., Wallingford, CT, 2004.
25. Becke A.D. J. Chem. Phys. 98 (1993) 1372
26. Dreuw A., and Head-Gordon M. Chem. Rev. 105 (2005) 4009
27. Jacquemin D., Perpete E.A., Ciofini I., and Adamo C. Acc. Chem. Res. 42 (2008) 326
28. Pathak A.K., Mukherjee T., and Maity D.K. J. Chem. Phys. 126 (2007) 034301
29. Fourre I., Berges J., Braida B., and Houee-Levin C. Chem. Phys. Lett. 467 (2008) 164
30. Van Wart H.E., Lewis A., Scheraga H.A., and Saeva F.D. Proc. Natl. Acad. Sci. 70 (1973) 2619
31. Sennikov P.G. J. Phys. Chem. A 98 (1994) 4973
32. Price E.A., Hammer N.I., and Johnson M.A. J. Phys. Chem. A 108 (2004) 3910
33. David C., Foley S., and Enescu M. Phys. Chem. Chem. Phys. 11 (2009) 2532
34. Dumont E., Laurent A.D., Loos P.-F., and Assfeld X. J. Chem. Theor. Comput. 5 (2009) 1700