Theoretical Study of 3-Penten-2-one Complexes of Iron and Chromium Subgroup Metals with Various Modes of the Enone Coordination |
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| Authors: | Kuramshin A I Mushkin V B Karpenko E A Cherkasov R A |
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| Institution: | (1) Kazan State University, Kazan, Tatarstan, Russia |
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| Abstract: | The calculated parameters of the steric and electronic structure and shielding constants of  2- (3-penten-2-one)Fe(CO)4, 2-(3-penten-2-one)M(CO)5, 4-(3-penten-2-one)Fe(CO)3, and 4-(3-penten-2-one) ·M (CO)4 (M = Cr, Mo, W) nicely agree with the experiment. Coordination of the  -enone with transition metals significantly distorts the conjugation between the C = C and C = O bonds. |
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