Journal
JOURNAL OF MOLECULAR MODELING
Volume 16, Issue 3, Pages 559-565Publisher
SPRINGER
DOI: 10.1007/s00894-009-0567-1
Keywords
Density functional theory; sigma-Hole; IBA; IBS; IBX; 2-iodoxybenzoic
Categories
Funding
- Deutsche Forschungsgemeinschaft [SFB583]
- University of Queensland
Ask authors/readers for more resources
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
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available
Share Paper
