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. 2010 Mar;16(3):559-65.
doi: 10.1007/s00894-009-0567-1. Epub 2009 Aug 15.

Neighboring group stabilization by sigma-holes

Richard A J O'Hair  1 , Craig M Williams, Timothy Clark
Affiliations

Neighboring group stabilization by sigma-holes

Richard A J O'Hair et al. J Mol Model. 2010 Mar.

Abstract

We have used density-functional theory to investigate the neighboring-group stabilization of iodine, arsenic, and phosphorus-centered oxyanion moieties in species such as deprotonated 2-iodoxybenzoic acid (IBX) and its analogs. The magnitudes of different stabilizing effects and further candidates for analogous stabilization are analyzed.

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References

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