Applications of proton magnetic resonance to rotational isomerism in halotoluene derivatives. IV. α,α,2,4,6-Pentachlorotoluene in carbon disulfide, an exchanging ABC system
Open Access
- 15 December 1970
- journal article
- Published by Canadian Science Publishing in Canadian Journal of Chemistry
- Vol. 48 (24) , 3877-3881
- https://doi.org/10.1139/v70-652
Abstract
The p.m.r. of α,α,2,4,6-pentachlorotoluene in carbon disulfide solution displays hindered rotation about the sp2–sp3 carbon–carbon bond, causing broadening and collapse of the proton resonance spectrum. A full line-shape analysis using the computer program DNMR gives an activation energy of 14.2 ± 0.3 kcal/mole, a frequency factor of 11.9 ± 0.2, an enthalpy of activation of 13.7 ± 0.3 kcal/mole, and an entropy of activation of −4.4 ± 1 e.u. These data are compared with the activation parameters obtained in methylcyclohexane and toluene-d8 solutions from different line shapes.Keywords
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