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Parthasarathi R, Subramanian V, Sathyamurthy N, et al. Solvation of H3O+ by phenol: hydrogen bonding vs pi complexation. J Phys Chem A. 2007;111(1):2-5doi: 10.1021/jp066574t.
Parthasarathi, R., Subramanian, V., Sathyamurthy, N., & Leszczynski, J. (2007). Solvation of H3O+ by phenol: hydrogen bonding vs pi complexation. The journal of physical chemistry. A, 111(1), 2-5. https://doi.org/10.1021/jp066574t
Parthasarathi, R, et al. "Solvation of H3O+ by phenol: hydrogen bonding vs pi complexation." The journal of physical chemistry. A vol. 111,1 (2007): 2-5. doi: https://doi.org/10.1021/jp066574t
Parthasarathi R, Subramanian V, Sathyamurthy N, Leszczynski J. Solvation of H3O+ by phenol: hydrogen bonding vs pi complexation. J Phys Chem A. 2007 Jan 11;111(1):2-5. doi: 10.1021/jp066574t. PMID: 17201380.
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J Phys Chem A. 2007 Jan 11;111(1):2-5. doi: 10.1021/jp066574t.

Solvation of H3O+ by phenol: hydrogen bonding vs pi complexation.

The journal of physical chemistry. A

R Parthasarathi, V Subramanian, N Sathyamurthy, Jerzy Leszczynski

PMID: 17201380 DOI: 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, pi...H-O, and pi...H-C bonds are also formed, thus stabilizing the H3O+(C(6)H(5)OH)3 complex.

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