Mattock, James D, Vargas, Alfredo and Dewhurst, Rian D (2015) Identification of a lead candidate in the search for carbene-stabilized homoaromatics. Chemistry - A European Journal, 21. pp. 16968-16974. ISSN 1521-3765

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Abstract

The effect of carbenes as Lewis donor groups on the homoaromaticity of mono- and bicyclic organic molecules is surveyed. The search for viable carbene-stabilized homoaromatics resulted in a large amount of rejected candidates as well as nine promising candidates that are further analyzed for their homoaromaticity using a number of metrics. Of these, five appeared to show modest homoaromaticity, while another compound showed a level of homoaromaticity comparable with the homotropylium cation benchmark compound. Isoelectronic analogues and constitutional isomers of the lead compound were investigated, however, none of these showed comparable homoaromaticity. The implications of these calculations on the design of donor-stabilized homoaromatics are discussed.

Item Type:	Article
Schools and Departments:	School of Life Sciences > Chemistry
Subjects:	Q Science > QD Chemistry
Depositing User:	Alfredo Vargas
Date Deposited:	02 Oct 2015 14:19
Last Modified:	18 Apr 2016 13:29
URI:	http://srodev.sussex.ac.uk/id/eprint/56264

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