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The effect of leaving radical on the formation of tetrahydroselenophene by SHi ring closure: an experimental and computational study

Hancock, Amber N; Lobachevsky, Sofia; Haworth, Naomi L; Coote, Michelle; Schiesser, Carl H

Description

Competition kinetic studies augmented with laser-flash photolysis and high-level computational techniques [G3(MP2)-RAD], with [COSMO-RS, SMD] and without solvent correction, provide kinetic parameters for the ring closures of a series of 4-(alkylseleno)butyl radicals 1. At 22 °C rate constants (kc) that lie between 10(4)-10(7) s(-1) were determined experimentally and correlate with expectations based on leaving group ability. Activation energies (Eact) were determined to lie between 10.6 (R =...[Show more]

CollectionsANU Research Publications
Date published: 2015-02-28
Type: Journal article
URI: http://hdl.handle.net/1885/13460
Source: Organic & biomolecular chemistry
DOI: 10.1039/c4ob02434f

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