MacDougall, P .E., Aitken, H. M., Scammells, P. J. , Kavanagh, Y., Kyne, S. H. and Schiesser, C. H. (2012) 7-Selenabicyclo2.2.1heptane. Chemical Communications, 48 (73). pp. 9126-9128. ISSN 1359-7345

Full content URL: http://dx.doi.org/10.1039/c2cc34984a

Tetrahedron 2012 Neves.pdf
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Item Type:Article
Item Status:Live Archive


Thermolysis of a benzene solution of N-4-(p-(methoxybenzyl)seleno) cyclohexanoyl-N,S-dimethyldithiocarbonate affords the hitherto unknown 7-selenabicyclo2.2.1heptane in 48% conversion and in 20% yield after chromatography. G3(MP2)-RAD calculations predict a rate constant of 5 X 104 s-1 at 80 °C (3.8 X 106 s -1 at 200 °C) for the intramolecular homolytic substitution process involved in this cyclization.

Keywords:Selenium, Kinetics, homolytic substitution, Computational chemistry
Subjects:F Physical Sciences > F160 Organic Chemistry
Divisions:College of Science > School of Chemistry
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ID Code:17612
Deposited On:08 Jun 2015 12:30

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