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From Carbene-Dithiolene Zwitterion Mediated B-H Bond Activation to BH₃·SMe₂-Assisted Boron-Boron Bond Formation.

ABSTRACT: The 1:1 reaction of the carbene-stabilized dithiolene zwitterion 1 with BH₃·SMe₂ gave the dithiolene-based hydroborane 2 and the doubly hydrogen-capped CAAC species 3 via hydride-coupled reverse electron transfer processes. The mechanism of this transformation was probed computationally using density functional theory. The subsequent 2:1 reaction of 2 with 1 resulted in 4 and 3, suggesting that 1 can mediate the B-H bond activation not only for BH₃ but also for monohydroboranes. In the presence of BH₃·SMe₂, 2 was unexpectedly converted to the corresponding diborane(4) complex 5 through a dehydrocoupling reaction at an elevated temperature.

SUBMITTER: Wang Y

PROVIDER: S-EPMC10716900 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature

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From Carbene-Dithiolene Zwitterion Mediated B-H Bond Activation to BH3·SMe2-Assisted Boron-Boron Bond Formation.

Wang Yuzhong Y Tran Phuong M PM Lahm Mitchell E ME Wei Pingrong P Adams Earle R ER Schaefer Henry F HF Robinson Gregory H GH

Organometallics 20231011 23

The 1:1 reaction of the carbene-stabilized dithiolene zwitterion 1 with BH3·SMe2 gave the dithiolene-based hydroborane 2 and the doubly hydrogen-capped CAAC species 3 via hydride-coupled reverse electron transfer processes. The mechanism of this transformation was probed computationally using density functional theory. The subsequent 2:1 reaction of 2 with 1 resulted in 4 and 3, suggesting that 1 can mediate the B-H bo ...[more]

PMID: 38098647

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