Locating and Evaluating Steric Effects by NMR

Peter R. Seidl 1Julliane D. Yoneda 2Kátia Z. Leal 2

1. Universidade Federal do Rio de Janeiro (UFRJ), Centro de Tecnologia, bloco E, Ilha do Fundão, Rio de Janeiro 21949-900, Brazil
2. Universidade Federal Fluminense (UFF), Outeiro de São João Batista s/n, Rio de Janeiro 24020-150, Brazil

Abstract

The rapid advance of supramolecular chemistry has led to a better understanding of the forces and interactions that are responsible for many different phenomena. Among these, steric effects play an important role in determining the constraints to association between the species involved. Although the role of steric effects has been recognized for a long time, quantitative information has been mainly related to the magnitude of these effects rather than the properties of the group of atoms that is responsible for them. This situation has been changing with the increase in the power of modeling tools and the accumulation of data on models that can be used for the purpose of comparison. The results of our studies on substituted model compounds such as adamantanes, norbornanes, norcamphors and camphors, show how NMR can be used to locate the segment of a molecule that is subjected to steric effects and evaluate the degree to which these effects will distort its geometry.

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Presentation: oral at 18th Conference on Physical Organic Chemistry, Symposium 1, by Peter R. Seidl
See On-line Journal of 18th Conference on Physical Organic Chemistry

Submitted: 2006-05-30 17:53
Revised:   2009-06-07 00:44
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