Neighboring group stabilization by sigma-holes

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

doi:10.1007/s00894-009-0567-1

Neighboring group stabilization by sigma-holes

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

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	559-565
Number of pages	7
Journal	Journal of Molecular Modeling
Volume	16
Issue number	3
DOIs	https://doi.org/10.1007/s00894-009-0567-1
Publication status	Published - 2010

Access to Document

10.1007/s00894-009-0567-1

Cite this

@article{0cfb458971b24670a8d88c12cb869b70,

title = "Neighboring group stabilization by sigma-holes",

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.",

author = "R. O'Hair and C. Williams and Tim Clark",

year = "2010",

doi = "10.1007/s00894-009-0567-1",

language = "English",

volume = "16",

pages = "559--565",

journal = "Journal of Molecular Modeling",

issn = "1610-2940",

publisher = "Springer Science and Business Media Deutschland GmbH",

number = "3",

}

TY - JOUR

T1 - Neighboring group stabilization by sigma-holes

AU - O'Hair, R.

AU - Williams, C.

AU - Clark, Tim

PY - 2010

Y1 - 2010

N2 - 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.

AB - 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.

U2 - 10.1007/s00894-009-0567-1

DO - 10.1007/s00894-009-0567-1

M3 - Article

SN - 1610-2940

VL - 16

SP - 559

EP - 565

JO - Journal of Molecular Modeling

JF - Journal of Molecular Modeling

IS - 3

ER -

Neighboring group stabilization by sigma-holes

Abstract

Access to Document

Fingerprint

Cite this