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- W1991119939 abstract "Metalation of the quadruply bonded Mo2(dpa)4 and W2(dpa)4 (dpa = 2,2′-dipyridylamido) compounds with CrCl2 results in the formation of the new heterotrimetallic complexes Mo2Cr(dpa)4Cl2 (1) and W2Cr(dpa)4Cl2 (2). X-ray crystal structures of 1 and 2 reveal short Mo2⋯Cr and W2⋯Cr distances of 2.69 and 2.65 Å, respectively. Electronic absorption spectra and electrochemical data for 1 and 2 are presented. Variable temperature magnetic susceptibility measurements establish the electronic spin states of 1 and 2, which are S = 2. Molecular orbital analysis by density functional theory (DFT) calculations reveals a 3-center/3-electron sigma bonding configuration leading to a partial sigma type interaction between the M2 quadruply bonded unit and Cr in 1 and 2. Time-dependent DFT provides support for the assignment of the lowest energy feature in the electronic absorption spectra of 1 and 2 as a δ → δ∗ transition with M2-to-Cr charge transfer character." @default.
- W1991119939 created "2016-06-24" @default.
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- W1991119939 date "2015-01-01" @default.
- W1991119939 modified "2023-09-30" @default.
- W1991119939 title "Completing the series of Group VI heterotrimetallic M2Cr(dpa)4Cl2 (M2= Cr2, Mo2, MoW and W2) compounds and investigating their metal–metal interactions using density functional theory" @default.
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- W1991119939 doi "https://doi.org/10.1016/j.ica.2014.08.020" @default.
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