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Ramsden, CA and Oziminski, WP (2017) A Quantitative Analysis of Factors Influencing Ease of Formation and s-Bonding Strength of Oxa- and Thia-N-Heterocyclic Carbenes. Journal of Organic Chemistry. ISSN 0022-3263

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Abstract

The index described previously (carbene relative energy of formation) has been extended to oxygen and sulfur heterocycles. This provides a quantitative overview of factors determining ease of formation of (i) neutral N-heterocyclic carbenes (NHCs) by deprotonation of heterocyclic salts and (ii) anionic NHCs by deprotonation of heterocyclic mesomeric betaines. The influence of the nature and ring position of oxygen and sulfur is discussed for a range of known and unknown systems. Attention is directed to unexplored systems of potential interest.

Item Type: Article
Additional Information: The final published version of this manuscript is available online at https://pubs.acs.org/doi/10.1021/acs.joc.7b02283
Subjects: Q Science > Q Science (General)
Q Science > QD Chemistry
Divisions: Faculty of Natural Sciences > School of Physical and Geographical Sciences
Depositing User: Symplectic
Date Deposited: 09 Aug 2019 08:07
Last Modified: 09 Aug 2019 13:00
URI: https://eprints.keele.ac.uk/id/eprint/6663

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