Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5393834 | Computational and Theoretical Chemistry | 2014 | 7 Pages |
Abstract
Hydroxamic acids are known for their potency towards combining with metal cations. Their most important vital biological use is their complex formation with Fe(III) ions. We endeavour in this study, using DFT methods to probe the electronic and conformational structures of cis-NPBHA keto and enol tautomers, and examine the origin of their stability using natural bond orbital (NBO) analysis.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Saadullah G. Aziz, Shabaan A.K. Elroby, Rifaat H. Hilal, Osman I. Osman,