کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
10572662 975547 2005 11 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Homoleptic binuclear chromium carbonyls: why haven't they been synthesized as stable molecules?
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی معدنی
پیش نمایش صفحه اول مقاله
Homoleptic binuclear chromium carbonyls: why haven't they been synthesized as stable molecules?
چکیده انگلیسی
Density functional theory has been used to explore possible homoleptic binuclear Cr carbonyls Cr2(CO)n (n = 11, 10, 9, and 8) using the pure DFT method BP86 and the hybrid Hartree-Fock DFT method B3LYP. The binuclear Cr2(CO)11 is computed to be thermodynamically unstable with respect to dissociation into mononuclear fragments. Optimized structures with metal-metal multiple bonding are found for Cr2(CO)10 (triplet), Cr2(CO)9, and Cr2(CO)8.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Inorganica Chimica Acta - Volume 358, Issue 5, 15 March 2005, Pages 1442-1452
نویسندگان
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