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B-H Functionalization of Hydrogen-Rich [(Cp*V)(2) (B2H6)(2)]: Synthesis and Structures of [(Cp*V)(2)(B2X2)(2)H-8] (X = CI, SePh; Cp* = eta(5)-C5Me5)

Abstract : We have recently reported the perchlorinated diniobaborane species [(Cp*Nb)(2)(B2H4Cl2)(2)] from [(Cp*Nb)(2)(B2H6)(2)] using CCl4 as a chlorinating agent. In an attempt to isolate the vanadium analogue, we have isolated [(Cp*V)(2)(B2H6)(2)] (1) from the reaction of (Cp*VCl2)(3) with [LiBH4THF] followed by thermolysis with excess [BH3 center dot THF]. Subsequently, the thermolysis of 1 with CCl4 for a prolonged period of time afforded the perchlorinated divanadaborane [(Cp*V)(2)(B2H4Cl2)(2)] (2) along with the formation of the bichlorinated divanadaborane [(Cp*V)(2)(B2H5Cl)(2)] (3) and trichlorinated divanadaborane [(Cp*V)(2)(B2H4Cl2)(B2H5Cl)] (4). Similarly, in order to functionalize the terminal B-H by a {SePh} group, thermolysis of 1 was carried out with Ph2Se2, which yielded the persubstituted divanadaborane [(Cp*V)(2) {B2H4(SePh)(2)}(2)] (5) in parallel to the formation of [(Cp*V)(2) {B4H11(SePh)}] (6). Compound 5 is very fascinating in that all of the terminal B-H hydrogens of 1 have been substituted by {SePh} ligands. All of the compounds have been characterized by H-1, B-11, and C-13 NMR spectroscopy, mass spectrometry, IR spectroscopy, and single-crystal X-ray analysis. Density functional theory (DFT) and TD-DFT calculations provided a further understanding regarding the electronic structures, bonding, and electronic transitions of these persubstituted vanadaborane species.
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Anagha Haridas, Sourav Kar, Beesam Raghavendra, Thierry Roisnel, Vincent Dorcet, et al.. B-H Functionalization of Hydrogen-Rich [(Cp*V)(2) (B2H6)(2)]: Synthesis and Structures of [(Cp*V)(2)(B2X2)(2)H-8] (X = CI, SePh; Cp* = eta(5)-C5Me5). Organometallics, American Chemical Society, 2020, 39 (1), pp.58-65. ⟨10.1021/acs.organomet.9b00609⟩. ⟨hal-02470143⟩



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