کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1407169 1501874 2008 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Low-temperature neutron structure determinations of a series of scorpionate complexes of molybdenum containing BHMo agostic bonds
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Low-temperature neutron structure determinations of a series of scorpionate complexes of molybdenum containing BHMo agostic bonds
چکیده انگلیسی
The structures of four dihydrobis(pyrazol-1-yl)borate (Bp) complexes of molybdenum have been determined at low temperature by single crystal neutron diffraction in order to accurately characterize the three-center BHMo agostic bonding. The BH1A (agostic) distance is found to be elongated by about 0.05-0.08 Å compared to the BH1B distance (not agostically bound to the metal center). This systematic study of a series of molecules with different substituents on the Bp ligand permits us to examine the effects of electronic and steric factors on the overall structure and bonding, and particularly on the agostic bond. It is observed that a closer approach of H1A to Mo leads to a longer trans-MoCO bond distance, analogous to the trans hydride structural effect in hydride complexes. In addition Fenske-Hall calculations were performed on these complexes, and the results are reported herein.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 890, Issues 1–3, 12 November 2008, Pages 63-69
نویسندگان
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