OH···O and OH···S intramolecular interactions in simple resonance-assisted hydrogen bond systems: a comparative study of various models

• Published in: Structural chemistry Vol. 25; no. 1; pp. 251 - 258
• Main Authors: Nowroozi, A., Hajiabadi, H., Akbari, F.
• Format: Journal Article
• Language: English
• Published: Boston Springer US 01.02.2014
• Subjects: Chemistry; Chemistry and Materials Science; Computer Applications in Chemistry; Original Research; Physical Chemistry; Theoretical and Computational Chemistry; GIAO; NBO; Resonance assisted hydrogen bond; IMHB; AIM

The energy of intramolecular hydrogen bond (IMHB) is a central subject in chemistry and biochemistry. In contrast with the IMHBs, there is no general accepted procedure to determine the IMHB energy. In the present study, for the first time, we applied all the different adopted models for assessing t...