Internal electric fields in small water clusters [(H2O)n; n = 2

Internal electric fields in small water clusters [(H2O)n; n = 2–6]

Published:2016 Issue:25 Volume:18 Page:16730-16737
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sen Saumik¹²³⁴,Boda Manjusha¹²³⁴,Venkat Lata S.¹²³⁴,Naresh Patwari G.¹²³⁴

Affiliation:

1. Department of Chemistry

2. Indian Institute of Technology Bombay

3. Mumbai 400076

4. India

Abstract

The stabilization energies and the average red-shifts in the O–H stretching frequencies in the water clusters correlate linearly with the electric field derived from the molecular electrostatic potential.

Funder

Science and Engineering Research Board

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP02803A

Reference45 articles.

1. POLARITY AND IONIZATION FROM THE STANDPOINT OF THE LEWIS THEORY OF VALENCE.

2. The importance of cooperativity for the properties of liquid water

3. Cooperativity and hydrogen bonding network in water clusters

4. Global minima for water clusters (H2O)n, n⩽21, described by a five-site empirical potential

5. Quantum Calculations on Hydrogen Bonds in Certain Water Clusters Show Cooperative Effects

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