alexa On the Stability of Branched Hydrocarbons | OMICS International | Abstract
ISSN: 2161-0398

Journal of Physical Chemistry & Biophysics
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Review Article

On the Stability of Branched Hydrocarbons

Lawrence S. Bartell*
Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States
Corresponding Author : Lawrence S. Bartell
Department of Chemistry, University of Michiga
Ann Arbor, Michigan 48109, United States
Tel: 734-764-7375
E-mail: [email protected]
Received February 17, 2014; Accepted May 16, 2014; Published May 19, 2014
Citation: Bartell LS (2014) On the Stability of Branched Hydrocarbons. J Phys Chem Biophys 4:140. doi:10.4172/2161-0398.1000140
Copyright: © 2014 Etsuro I, et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

Abstract

Nearly a half-century ago I published a paper which successfully calculated the relative stabilities of a large number of hydrocarbons. Calculations were based on empirical atom-atom potential energies I had introduced in 1960, which had been deliberately biased to take into account the differences between branched and u n b r a n c h e d hydrocarbon molecules. Little controversy arose until quite recently when Gronert revived this old work and entered into what evolved into a bitter controversy with the Grimme, Wiberg, and Schleyer accounts of stabilities of branched vs. unbranched hydrocarbons. Gronert invoked 1-3 nonbonded interactions to reproduce successfully the relative stabilities of the various hydrocarbons. His opponents carried out careful quantum computations including electron correlation energies (not feasible to calculate in 1960 when the empirical interaction potentials were formulated). The purpose of this paper is to resolve the controversy by showing that while the two approaches differ in verbal explanations; they are equivalent in concrete results.

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