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• W3211156728 endingPage "120685" @default.
• W3211156728 startingPage "120685" @default.
• W3211156728 abstract "We have synthesized and structurally characterized two new borate complexes of early transition metals utilizing chalcogen based borate ligand Li[BH 3 (SPh)]. • Two unique chalcogen stabilized borate complexes of Ta were isolated. • Complex 1 has two unique borate ligands, i.e., {BH 3 (SPh)} and {BH 3 (S)}. • Compound 2 has another unique borate ligand {BH 3 (C 6 H 4 )S} and triborane analog. • The DFT calculations revealed the σ-donation of B-H bonds of borates to Ta atoms. In an attempt to isolate some electron precise early transition metal borate complexes, we have explored the reactions of [Cp*TaCl 4 ] (Cp* = η 5 -C 5 Me 5 ) with chalcogen-based borate ligand Li[BH 3 (SPh)]. The room-temperature reaction yielded bimetallic borate complex [(Cp*Ta) 2 ( μ -SPh){S(BH 3 )}{SPh(BH 3 )}] ( 1 ) that present two types of borate ligands, i.e., {BH 3 (SPh)} and {BH 3 (S)} ligands having unique coordination with the tantalum atoms. Interestingly, the {BH 3 (S)} ligand is coordinated to both the Ta centers in µ-η 1 :η 2 fashion. On the other hand, thermolysis of [Cp*TaCl 4 ] in the presence of Li[BH 3 (SPh)] yielded a bimetallic borate species [(Cp*Ta) 2 ( µ - η 3 : η 3 -B 2 H 4 S){ µ - η 2 : η 2 -S(C 6 H 4 )BH 3 }] ( 2 ). Compound 2 contains a triborane analog and a borate ligand, which are coordinated to two Ta atoms. This can also be considered as a notable example of C H activated molecule, in which a B-C bond formation took place. Both the borate species have been characterized by mass spectrometry, IR spectroscopy, NMR spectroscopy, and single-crystal X-ray diffraction studies. The density functional theory (DFT) calculations further provided insights into the bonding and electronic structures of these bimetallic borate species." @default.
• W3211156728 created "2021-11-08" @default.
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• W3211156728 date "2022-01-01" @default.
• W3211156728 modified "2023-09-24" @default.
• W3211156728 title "Chalcogen Stabilized Borate Complexes of Tantalum" @default.
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• W3211156728 doi "https://doi.org/10.1016/j.ica.2021.120685" @default.
• W3211156728 hasPublicationYear "2022" @default.
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