کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1313937 1499324 2015 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Fluoro-silicon (FSi) interaction as a promising force for the formation of thermodynamically stabilized Brook-type silabenzene: A quantum chemical approach
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی معدنی
پیش نمایش صفحه اول مقاله
Fluoro-silicon (FSi) interaction as a promising force for the formation of thermodynamically stabilized Brook-type silabenzene: A quantum chemical approach
چکیده انگلیسی
The effect of intramolecular fluoro-silicon interaction on the formation of Brook-type silabenzene was studied by the help of DFT. The M06-2X calculations reveal that fluoro-silicon interaction makes the transition state more stable and hence decreases the energy of activation for the formation of silabenzene. The hydrogen bonding decreases the stability of transition state and hence increases the energy of activation for the formation of silabenzene. The fluoro-silicon interaction helps in the stabilization of transition state.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Fluorine Chemistry - Volume 176, August 2015, Pages 51-56
نویسندگان
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