Acidity of hydroxamic acids and amides

0194923 - UOCHB-X 20030231 RIV GB eng J - Journal Article
Böhm, S. - Exner, Otto
Acidity of hydroxamic acids and amides.
Organic & Biomolecular Chemistry. Roč. 1, č. 7 (2003), s. 1176-1180. ISSN 1477-0520. E-ISSN 1477-0539
R&D Projects: GA AV ČR IAA4072005
Institutional research plan: CEZ:AV0Z4055905
Keywords : hydroxamic acids * DFT calculations * isodesmic reactions
Subject RIV: CC - Organic Chemistry
Impact factor: 0.000, year: 2003

Acidity of hydroxamic acids and amides was analyzed by means of isodesmic reactions. Energies were calculated at the B3LYP/AUG-cc-pVTZ/B3LYP/6-311+G(d,p) level. Both amides and hydroxamic acids are stabilized with respect to simpler reference molecules. However, their anions are stabilized still more and are responsible for the acidity.
Permanent Link: http://hdl.handle.net/11104/0090593