Neighboring group stabilization by sigma-holes

O'Hair RAJ, Williams CM, Clark T (2010)

Publication Status: Published

Publication Type: Journal article

Publication year: 2010

Journal

Journal of Molecular Modeling Springer Verlag (Germany)

Publisher: Springer Verlag (Germany)

Book Volume: 16

Pages Range: 559-565

Journal Issue: 3

DOI: 10.1007/s00894-009-0567-1

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.

Authors with CRIS profile

Timothy Clark Computer-Chemie-Centrum

Involved external institutions

The University of Melbourne AU Australia (AU) University of Queensland AU Australia (AU)

How to cite

APA:

O'Hair, R.A.J., Williams, C.M., & Clark, T. (2010). Neighboring group stabilization by sigma-holes. Journal of Molecular Modeling, 16(3), 559-565. https://dx.doi.org/10.1007/s00894-009-0567-1

MLA:

O'Hair, Richard A. J., Craig M. Williams, and Timothy Clark. "Neighboring group stabilization by sigma-holes." Journal of Molecular Modeling 16.3 (2010): 559-565.

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