The Quest for Stable Borozene Core in Main-Group Capped Inverse Sandwich Complexes, [(HE)BH] (E=B, Al, Ga, In, and Tl)
Chemistry - A European Journal, ISSN: 1521-3765, Vol: 30, Issue: 54, Page: e202402410
2024
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Indian Institute of Science Reports Findings in Science [THE QUEST FOR STABLE BOROZENE CORE IN MAIN-GROUP CAPPED INVERSE SANDWICH COMPLEXES, [(HE)2B6H6]2- (E=B, Al, Ga, In, and Tl)]
2024 AUG 07 (NewsRx) -- By a News Reporter-Staff News Editor at Daily India Report -- New research on Science is the subject of a
Article Description
The ubiquitous chemistry of benzene led us to explore ways to stabilise analogous borozene, by capping them with appropriate groups. The mismatch in overlap of ring-cap fragment molecular orbitals in [(HB)BH] is overcome by replacing the two BH caps with higher congeners of boron. We calculated the relative energies of all the polyhedral structural candidates for [(HE)BH] (E=Al−Tl) and found hexagonal bipyramid (HBP) to be more stable with Al−H caps. A global minimum search also gives HBP as the most stable structure for [AlBH]. The capped BH ring in [(HAl)BH] has aromaticity comparable to that of benzene.
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