Elimination of HF from CH3F by As+ and Bi+: A comparative theoretical study

Journal of Molecular Structure: THEOCHEM

Volumn 894, Issue 1-3, 2009, Pages 36-40

  Li, Tao Hong ^a   Liu, Xiang Yi ^a   Wang, Chuan Ming ^b   Yu, Shi Wen ^c   Xie, Xiao Guang ^d  

^a SOUTHWEST FORESTRY UNIVERSITY   (China)

^b HONGHE UNIVERSITY   (China)

^c QUJING NORMAL UNIVERSITY   (China)

^d YUNNAN UNIVERSITY   (China)

Author keywords

Atomic cation; HF elimination; Main group; Methyl fluoride

Indexed keywords

EID: 57349158417     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.09.035     Document Type: Article

References (29)

1. Eller K., and Schwarz H. Chem. Rev. 91 (1991) 1121
2. Carroll J.J., Haug K.L., Weisshaar J.C., Blomberg M.R.A., Siegbahn P.E.M., and Svensson M. J. Phys. Chem. 99 (1995) 13955
3. Ye C.W.S. Int. J. Quant. Chem. 75 (1999) 47
4. Hinrichs R.Z., Schroden J.J., and Davis H.F. J. Am. Chem. Soc. 125 (2003) 860
5. Schwarz H. Int. J. Mass Spectrom. 237 (2004) 75
6. Mazurek U., and Schwarz H. Chem. Commun. (2003) 1321
7. Uppal J.S., and Staley R.H. J. Am. Chem. Soc. 102 (1980) 4144
8. Harvey J.N., Schroder D., Koch W., Danovich D., Shaik S., and Schwarz H. Chem. Phys. Lett. 278 (1997) 391
9. Cornehl H.H., Hornung G., and Schwarz H. J. Am. Chem. Soc. 118 (1996) 9960
10. Taylor W.S., Matthews C.C., and Parkhill K.S. J. Phys. Chem. A 109 (2005) 356
11. Zhang D., Liu C., and Bi S. J. Phys. Chem. A 106 (2002) 4153
12. 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
13. Zhao X., Koyanagi G.K., and Bohme D.K. J. Phys. Chem. A 110 (2006) 10607
14. Becke A.D. J. Chem. Phys. 98 (1993) 1372
15. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
16. Schaefer A., Huber C., and Ahlrichs R. J. Chem. Phys. 100 (1994) 5829
17. Peterson K.A. J. Chem. Phys. 119 (2003) 11099
18. Al-Saidi W.A., Krakauer H., and Zhang S. J. Chem. Phys. 125 (2005) 154110
19. Scuseria G.E., and Schaefer III H.F. J. Chem. Phys. 90 (1989) 3700
20. Mclean A.D., and Chandler G.S. J. Chem. Phys. 72 (1980) 5639
21. Krishnan R., Binkley J.S., Seeger R., and Pople J.A. J. Chem. Phys. 72 (1980) 650
22. Frisch M.J., et al. (1998), Gaussian, Inc., Pittsburgh, PA
23. Durant J.L. Chem. Phys. Lett. 256 (1996) 595
24. Yoshizawa K., Shiota Y., Kang S., and Yamabe T. Organometallics 16 (1997) 5058
25. Bayse C.A. J. Phys. Chem. A 106 (2002) 4226
26. Rivas N.G., and Cedillo A. J. Chem. Sci. 117 (2005) 555
27. Irikurat K.K., and Goddard W.A. J. Am. Chem. Soc. 116 (1994) 8733
28. Zhao X., Hopkinson A.C., and Bohme D.K. Chemphyschem. 9 (2008) 873
29. Taylor W.S., May J.C., and Lasater A.S. J. Phys. Chem. A 107 (2003) 2209