Macropolyhedral Chalcogenaboranes: Insertion of Selenium into the Isomers of B18H22

0552732 - ÚACH 2023 RIV US eng J - Journal Article
Bould, Jonathan - Londesborough, Michael Geoffrey Stephen - Litecká, Miroslava - Macias, R. - Shea, S. L. - McGrath, T. D. - Clegg, W. - Kennedy, John David
Macropolyhedral Chalcogenaboranes: Insertion of Selenium into the Isomers of B18H22.
Inorganic Chemistry. Roč. 61, č. 4 (2022), s. 1899-1917. ISSN 0020-1669. E-ISSN 1520-510X
R&D Projects: GA ČR(CZ) GA18-20286S; GA MŠMT(CZ) LM2018124
Institutional support: RVO:61388980
Keywords : Heteroboranes * Selenium * Oxaborane anion * Molecular structure * Nuclear magnetic resonance spectroscopy
OECD category: Inorganic and nuclear chemistry
Impact factor: 4.6, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.inorgchem.1c03018

High yields of novel macropolyhedral selenaboranes are reported. Reactions of the monoanions of the syn- and antiisomers of B18H22 with powdered selenium in THF variously give new macropolyhedral selenaboranes: 19-vertex [SeB18H19]- anion 1, 19-vertex [SeB18H21]- anion 2, 20-vertex [Se2B18H19]- anion 3, and 19-vertex [Se2B17H18]- anion 4. Single-cluster [hyphoSe2B6H9]- anion 5 and neutral arachno-Se2B7H9 6 also result. All of the macropolyhedrals 1, 2, 3, and 4 are characterized by NMR spectroscopy and mass spectrometry, and by single-crystal X-ray diffraction analyses. Anions 1 and 2 each 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 a common boron atom and an interboron link to an arachno-type 10-vertex subcluster. Unusually, anion 3 incorporates a hexagonal pyramidal intracluster structural motif in its 11-vertex subcluster. Anion 4 entails two arachno-type 10-vertex subclusters joined by a common boron atom, and with an additional intercluster boron-boron link. NMR data for syn-B18H22 and its mono- and dianions 7 and 8 and single-crystal X-ray diffraction results for these anions and also the monoanion 9 of anti-B18H22 are also reported. The oxaborane [mu-(8,9)-O-syn-B18H20]2- dianion 10 was serendipitously formed during the work and also characterized by a singlecrystal X-ray diffraction study. Experimental NMR and structural findings are supported by DFT calculations throughout.
Permanent Link: http://hdl.handle.net/11104/0327846


Research data: CCDC