Article ID Journal Published Year Pages File Type
1192075 International Journal of Mass Spectrometry 2015 6 Pages PDF
Abstract

For some gas-phase X− + CH3Y → XCH3 + Y− SN2 nucleophilic substitution reactions a pre-reaction complex is formed in which the attacking anion binds to a H-atom to form X−⋯HCH2Y. In this work properties of this complex are investigated, for the OH− + CH3I and F− + CH3I reactions, to determine whether the HO−⋯HCH2I and F−⋯HCH2I complexes should be considered hydrogen-bonded complexes. Properties considered for these complexes are their structures, vibrational frequencies, well depths, and partial atomic charges. Also considered is the role of the HO−⋯HCH2I complex in proton transfer for both the proton transfer and SN2 reaction pathways. The results of these analyses indicate that these X−⋯HCH2Y complexes are hydrogen bonding complexes.

Related Topics
Physical Sciences and Engineering Chemistry Analytical Chemistry
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