Neighboring group stabilization by sigma-holes

R. O'Hair, C. Williams, Tim Clark

Research output: Contribution to journalArticlepeer-review


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.
Original languageEnglish
Pages (from-to)559-565
Number of pages7
JournalJournal of Molecular Modeling
Issue number3
Publication statusPublished - 2010


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