Dehydrohalogenation versus dehydrogenation in reaction of Au+ with CH3Cl: A theoretical study

Journal of Molecular Structure: THEOCHEM

Volumn 899, Issue 1-3, 2009, Pages 18-24

  Li, Tao Hong ^a   Liu, Xiang Yi ^a   Yu, Shi Wen ^b   Zhao, Ning ^a   Liu, Shou Qing ^a   Ao, Xin Yu ^a   Xie, Xiao Guang ^c  

^a SOUTHWEST FORESTRY UNIVERSITY   (China)

^b QUJING NORMAL UNIVERSITY   (China)

^c YUNNAN UNIVERSITY   (China)

Author keywords

Dehydrogenation; Dehydrohalogenation; Gold cation; Methyl chloride

Indexed keywords

EID: 61449159663     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.12.002     Document Type: Article

References (24)

1. Uppal J.S., and Staley R.H. J. Am. Chem. Soc. 102 (1980) 4144
2. Chowdhury A.K., and Wilkins C.L. J. Am. Chem. Soc. 109 (1987) 5336
3. Fisher E.R., Schultz R.H., and Armentrout P.B. J. Phys. Chem. 93 (1989) 7382
4. Fisher E.R., Sunderlin L.S., and Armentrout P.B. J. Phys. Chem. 93 (1989) 7375
5. Cornehl H.H., Hornung G., and Schwarz H. J. Am. Chem. Soc. 118 (1996) 9960
6. Taylor W.S., May J.C., and Lasater A.S. J. Phys. Chem. A. 107 (2003) 2209
7. Taylor W.S., Matthews C.C., and Parkhill K.S. J. Phys. Chem. A. 109 (2005) 356
8. Zhao X., Koyanagi G.K., and Bohme D.K. J. Phys. Chem. A. 110 (2006) 10607
9. Zhao X., Hopkinson A.C., and Bohme D.K. Chemphyschem 9 (2008) 73
10. Reuben J., Schwerdtfeger P., Schröder D.F., and Schwarz H. Am. Soc. Mass. Spectrom. 13 (2002) 485
11. Li T.H., Liu X.Y., Wang C.M., Yu S.W., and Xie X.G. J. Mol. Struct. (Theochem) 894 (2009) 36
12. Becke A.D. J. Chem. Phys. 98 (1993) 1372
13. Lee C., Yang W., and Parr R.G. Phys. Rev. B. 37 (1988) 785
14. Krishnan R., Binkley J.S., Seeger R., and Pople J.A. J. Chem. Phys. 72 (1980) 650
15. Peterson K.A., and Puzzarini C. Theor. Chem. Acc. 283 (2005) 114
16. Al-Saidi W.A., Krakauer H., and Zhang S. J. Chem. Phys. 125 (2005) 154110
17. Scuseria G.E., and Schaefer III H.F. J. Chem. Phys. 90 (1989) 3700
18. M.J. Frisch et al., Gaussian, Inc., Pittsburgh, PA, 1998.
19. Irikurat K.K., and Goddard W.A. J. Am. Chem. Soc. 116 (1994) 8733
20. Li F.X., and Armentrout P.B. J. Chem. Phys. 125 (2006) 133114
21. Ibrahim Y., Alsharaeh E., Mabrouki R., Momoh P., Xie E., and El-Shall M.S. J. Phys. Chem. A 112 (2008) 1112
22. Zhang D., Liu C., and Bi S. J. Phys. Chem. A 106 (2002) 4153
23. Wang Y.C., Liu Z.Y., Geng Z.Y., Yang X.Y., Gao L.G., and Chen X.X. J. Mol. Struct. (Theochem) 765 (2006) 27
24. Cheng P., Koyanagi G.K., and Bohme D.K. J. Phys. Chem. A 110 (2006) 2718