کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
171201 | 458438 | 2010 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A DFT study of the reactivity of Cp2AnMe2 with pyridine N-oxide: Towards a predicted different reactivity of U/Pu and Np
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
مهندسی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
A predictive reactivity of Cp2An(IV)Me2 (with An = uranium [U], neptunium [Np] and plutonium [Pu]) with pyridine N-oxide has been studied at the theoretical level. The predictive reaction, which consists in the formation of a formaldehyde complex, begins after the initial formation of a cyclometalated complex produced by a C-H activation of the pyridine N-oxide. A difference of reactivity between U/Pu and Np has been observed and has been attributed to the presence of a more covalent bond between Np and the carbene group in the transition state of formation of a transient carbene intermediate.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Comptes Rendus Chimie - Volume 13, Issues 6–7, June–July 2010, Pages 870–875
Journal: Comptes Rendus Chimie - Volume 13, Issues 6–7, June–July 2010, Pages 870–875
نویسندگان
Ludovic Castro, Ahmed Yahia, Laurent Maron,