A theoretical study of fluorine atom and fluoride ion attack on methane and silane
…, LW Burggraf, MS Gordon, KK Baldridge
Index: Davis, Larry ,P.; Burggraf, Larry, W.; Gordon, Mark, S.; Baldridge, Kim, K. Journal of the American Chemical Society, 1985 , vol. 107, # 15 p. 4415 - 4419
Full Text: HTML
Citation Number: 43
Abstract
Abstract: We have performed MNDO and ab initio calculations for reactions of fluorine atom attack on methane and silane and, in addition, fluoride ion attack on the same molecules in the case of MNDO. We modeled both substitution and abstraction reactions in each case. Results were compared with experimental data, where available. Comparisons show that MNDO usually does as well as the ab initio methods in reproducing experimental values ...
Related Articles:
Gas-phase reactions of the methyl anion
[Graul, Susan T.; Squires, Robert R. Journal of the American Chemical Society, 1989 , vol. 111, # 3 p. 892 - 899]
Gas-phase reactions of the methyl anion
[Graul, Susan T.; Squires, Robert R. Journal of the American Chemical Society, 1989 , vol. 111, # 3 p. 892 - 899]
Generation of alkyl carbanions in the gas phase
[Graul, Susan T.; Squires, Robert R. Journal of the American Chemical Society, 1990 , vol. 112, # 7 p. 2506 - 2516]
[Plessis, Pierre; Marmet, Paul Canadian Journal of Chemistry, 1987 , vol. 65, p. 1424 - 1432]
Anion yields produced by low-energy electron impact on condensed hydrocarbon films
[Rowntree, P.; Parenteau, L.; Sanche, L. Journal of Physical Chemistry, 1991 , vol. 95, # 12 p. 4902 - 4909]