- Title
- 1H NMR-based kinetic and theoretical studies of the simultaneous formation of two discrete rotameric systems of a novel difenchyl sulfite ester
- Creator
- Singh, Alicia, Kaye, Perry T, Lobb, Kevin
- Subject
- To be catalogued
- Date
- 2017
- Type
- text
- Type
- article
- Identifier
- http://hdl.handle.net/10962/447925
- Identifier
- vital:74684
- Identifier
- xlink:href="https://doi.org/10.1016/j.tet.2017.10.059"
- Description
- Attempted repetition of a reported synthesis of fenchene from fenchol has afforded, in high overall yield, a mixture shown by spectroscopic and elemental analysis to comprise a pair of discrete rotameric systems of a novel 2-endo-2′-endo-difenchyl sulfite ester. The kinetics of the formation of these dimeric rotameric systems (I and II) has been explored experimentally, using 1H NMR spectroscopic analysis, and theoretically at molecular and quantum mechanical levels. Construction of a theoretical model has permitted calculation of rate constants for each of the steps, while modelling of the transition state complexes corresponding to the rate-determining steps for the formation of the rotameric systems I and II has revealed their independent access to further sets of interconverting rotamers.
- Format
- computer, online resource, application/pdf, 1 online resource (10 pages), pdf
- Publisher
- Elsevier
- Language
- English
- Relation
- Tetrahedron, Singh, A., Kaye, P.T. and Lobb, K.A., 2017. 1H NMR-based kinetic and theoretical studies of the simultaneous formation of two discrete rotameric systems of a novel difenchyl sulfite ester. Tetrahedron, 73(49), pp.6922-6931, Tetrahedron volume 73 number 49 p. 6922 2017 1464-5416
- Rights
- Publisher
- Rights
- Use of this resource is governed by the terms and conditions of the Elsevier Terms and Conditions Statement (https://www.elsevier.com/legal/elsevier-website-terms-and-conditions)
- Rights
- Closed Access
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- Visitors: 2
- Downloads: 0
Collections
Lobb, Kevin Allan (Assoc Prof)
Kaye, Perry (Distinguished Fellow Emeritus Professor)
RU Department of Chemistry
SDG 03. Good Health and Well-Being
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