Article citationsMore>>

Novakovic, S.B., Fraisse, B., Bogdanovic, G.A. and Spasojevic-De Bire, A. (2007) Experimental Charge Density Evidence for the Existence of High Polarizability of the Electron Density of the Free Electron Pairs on the Sulfur Atom of the Thioureido Group, NH-C(S)-NH2, Induced by N-H⋅⋅⋅S and C-H⋅⋅⋅S Interactions. Crystal Growth Design, 7, 191-195.
https://doi.org/10.1021/cg060497+

has been cited by the following article:

• TITLE: Quantum Mechanical Studies on the Mode of Hydrogen Bonding, Stability and Molecular Conformations of Phenol-Water Complexes

  AUTHORS: Mrinal Jyoti Bezbaruah, Shruti Sharma, Benzir Ahmed, Bipul Bezbaruah

  KEYWORDS: Phenol, Diphenol, MP4 Method, Hydrogen Bonding

  JOURNAL NAME: Computational Chemistry, Vol.7 No.3, July 4, 2019

  ABSTRACT: It is experimentally well established that the phenolic systems such as phenol and diphenols undergo strong hydrogen bonding interaction with water molecule. But, the possible mode hydrogen bonding in phenol-water systems may be of different types. Although, the experimental methods are not always well enough to give the proper hydrogen bonding conformations in the phenol-water complexes. The hydrogen bonding ability in phenol-water systems can directly be influenced by changing the interacting sites in the given molecular systems, which could be investigated by theoretical studies. Generally, in phenol-water system, the hydrogen bonding is taking place through −OH group of phenol with water molecule, and this kind of interactions between phenol-water and diphenol-water complexes have been extensively investigated in electronic ground state by Quantum Mechanical MP4 calculations. It is also very important to study the stability of different phenol-water complexes and to find out the proper phenol-water complexes with minimized interaction energy. This study will also be helpful for understanding the effect of hydrogen bonding interaction in a better way on other aromatic systems.