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Swollen Polyhedral Volume of the anti-B₁₈H₂₂ cluster via Extensive Methylation: anti-B₁₈H₈Cl₂Me₁₂

Lookup NU author(s): Professor William Clegg, Dr Paul Waddell

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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, 2020.

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Abstract

Methylation of anti-B₁₈H₂₂ 1 affords the first example of alkyl substitution of terminal hydrogen atoms on the fluorescent octadecaborane-22 molecule to give highly methylated 2,2'-Cl₂-1,1',3,3',4,4',7,7',8,8',10,10'-Me₁₂-anti-B₁₈H₈ 2. This extensive chemical substitution leads to a swelling in the polyhedral volume of the 18-vertex boron atomic skeleton of the molecule, and an enhancement of the adsorption and solubility characteristics of this highly fluorescent molecule. We propose this ‘swollen polyhedral volume’ to be the result of a marked increase in the relative positivity of the ‘cluster-only total charge’ of the boron atomic skeleton caused by the combined electron-withdrawing capacity of the twelve methyl groups. The enhancement in absorption and solubility properties may be crucial in the design of new borane-based laser materials.

Publication metadata

Author(s): Londesborough MGS, Lang K, Clegg W, Waddell PG, Bould J

Publication type: Article

Publication status: Published

Journal: Inorganic Chemistry

Year: 2020

Volume: 59

Issue: 5

Pages: 2651-2654

Online publication date: 11/02/2020

Acceptance date: 06/02/2020

Date deposited: 07/02/2020

ISSN (print): 0020-1669

ISSN (electronic): 1520-510X

Publisher: American Chemical Society

URL: https://doi.org/10.1021/acs.inorgchem.0c00179

DOI: 10.1021/acs.inorgchem.0c00179

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