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Macropolyhedral Chalcogenaboranes: Insertion of Selenium into the Isomers of B₁₈H₂₂

Lookup NU author(s): Professor William Clegg

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This is the authors' accepted manuscript of an article that has been published in its final definitive form by American Chemical Society, 2022.

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Abstract

High yields of novel macropolyhedral selenaboranes are reported. Reactions of the monoanions of the synand anti-isomers of B₁₈H₂₂ with powdered selenium in THF variously give new macropolyhedralselenaboranes: 19-vertex [SeB₁₈H₁₉] ̄ anion 1, 19-vertex [SeB₁₈H₂₁] ̄ anion 2, 20-vertex [ Se₂B₁₈H₁₉] ̄anion 3, and 19-vertex [Se₂B₁₇H₁₈] ̄ anion 4. Single-cluster [hypho-Se2B₆H₉] ̄ anion 5 and neutral[arachno-Se₂B₇H₉] 6 also result. All the macropolyhedrals 1, 2, 3, and 4 are characterized by NMRspectroscopy and mass spectrometry and by single-crystal X-ray diffraction analyses. Anions 1 and 2each consist of an 11-vertex subcluster joined by a common two-boron edge to a 10-vertex subcluster.Anion 3 consists of an 11-vertex subcluster joined by with a common boron atom and an interboron linkto an arachno-type 10-vertex subcluster. Unusually, anion 3 incorporates a hexagonal pyramidalintracluster structural motif in its 11-vertex subcluster. Anion 4 entails two arachno-type 10-vertexsubclusters joined by a common boron atom, and with an additional intercluster boron-boron link. NMRdata for syn-B₁₈H₂₂ and its mono and dianions 7 and 8, and single-crystal X-ray diffraction results forthese anions and also the monoanion 9 of anti-B₁₈H₂₂ are also reported. The oxaborane [μ-(8,9)-O-syn-B₁₈H₂₀]^2- dianion 10 was serendipitously formed during the work and also characterized by a single-crystal X-ray diffraction study. Experimental NMR and structural findings are supported by DFTcalculations throughout.

Publication metadata

Author(s): Bould J, Londesborough MGS, Litecka M, Macias R, Shea SL, McGrath TD, Clegg W, Kennedy JD

Publication type: Article

Publication status: Published

Journal: Inorganic Chemistry

Year: 2022

Volume: 61

Issue: 4

Pages: 1899-1917

Print publication date: 31/01/2022

Online publication date: 20/01/2022

Acceptance date: 30/12/2021

Date deposited: 02/01/2022

ISSN (print): 0020-1669

ISSN (electronic): 1520-510X

Publisher: American Chemical Society

URL: https://doi.org/10.1021/acs.inorgchem.1c03018

DOI: 10.1021/acs.inorgchem.1c03018

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