کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5417241 1506927 2009 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Dative stabilization of carbocations
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Dative stabilization of carbocations
چکیده انگلیسی
The role that oxygen plays in stabilizing carbocations was studied theoretically. The structures of several carbocations, based on the t-butyl ion, with varying numbers of oxygen atoms were optimized using second order Møller-Plesset perturbation theory methods. Relationships were found between the number of oxygen atoms and the amount of delocalization, as well as the charge of the formally positive carbon atom and the number of oxygen atoms bonded to it. Another study was performed on a set of larger cations. Evidence was found relating to the presence of dative bonds, the strength of which were found to be dependent on a number of factors.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 896, Issues 1–3, 28 February 2009, Pages 69-72
نویسندگان
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