کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1192075 | 1492250 | 2015 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Is there hydrogen bonding for gas phase SN2 pre-reaction complexes?
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
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.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: International Journal of Mass Spectrometry - Volume 378, 15 February 2015, Pages 14–19
Journal: International Journal of Mass Spectrometry - Volume 378, 15 February 2015, Pages 14–19
نویسندگان
Jing Xie, Jiaxu Zhang, William L. Hase,