| Literature DB >> 17201380 |
R Parthasarathi, V Subramanian, N Sathyamurthy, Jerzy Leszczynski.
Abstract
Ab initio calculations at the second-order Møller-Plesset perturbation theoretic level have been carried out to study the solvation of protonated water by phenol molecules. The results show that in addition to classical O-H...O hydrogen bonds, C-H...O, pi...H-O, and pi...H-C bonds are also formed, thus stabilizing the H3O+(C(6)H(5)OH)3 complex.Entities:
Year: 2007 PMID： 17201380 DOI： 10.1021/jp066574t
Source DB: PubMed Journal: J Phys Chem A ISSN： 1089-5639 Impact factor: 2.781