کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1255542 971427 2009 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Theoretical studies of insertion reactions of singlet germylene into aryl CCl bond of 1-chlorobenzene
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
Theoretical studies of insertion reactions of singlet germylene into aryl CCl bond of 1-chlorobenzene
چکیده انگلیسی

The insertion reactions of germylene into CCl bond of 1-chorobenzene have been explored using density functional theory. Five germylene species have been chosen for systematically studying. All the stationary points were determined at the B3LYP/6−311+G (d, p) level of the theory. The results show that, the smaller the ΔEST of germylene, the lower the barrier height, and the electropositive substituents on the germylene can increase the reaction activity and exothermicity of insertion into CCl bond of 1-chorobenzene.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chinese Chemical Letters - Volume 20, Issue 3, March 2009, Pages 374–377
نویسندگان
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