کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
10337203 692747 2005 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
An ab initio molecular orbital study of the reduction of carbonyls by alkylaluminum complexes
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
An ab initio molecular orbital study of the reduction of carbonyls by alkylaluminum complexes
چکیده انگلیسی
Semi-empirical and ab initio MO methods were used to explore mechanisms for the reduction of carbonyls by alkylaluminum reagents. Two distinct pathways have been observed experimentally, depending on the stoichiometric amounts of the reagents present. The corresponding intermediates and transition structures have been characterized. Alkylaluminum alkoxides are generally less reactive than the analogous alkylaluminum complexes. We suggest that the controlling factor here is not binding of the substrate, but the higher barrier to reaction of the alkoxide.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Graphics and Modelling - Volume 24, Issue 3, December 2005, Pages 195-202
نویسندگان
, , , ,