Parthasarathi, R. ; Subramanian, V. ; Sathyamurthy, N. ; Leszczynski, Jerzy (2007) Solvation of H3O+ by phenol: hydrogen bonding vs π complexation Journal of Physical Chemistry A, 111 (1). pp. 2-5. ISSN 1089-5639
Full text not available from this repository.
Official URL: http://pubs.acs.org/doi/abs/10.1021/jp066574t
Related URL: http://dx.doi.org/10.1021/jp066574t
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, π···H-O, and π···H-C bonds are also formed, thus stabilizing the H3O+(C6H5OH)3 complex.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 43887 |
| Deposited On: | 17 Jun 2011 08:24 |
| Last Modified: | 17 Jun 2011 08:24 |
Repository Staff Only: item control page
