Ab initio spectroscopy of water under electric fields

Author:

Cassone Giuseppe1234ORCID,Sponer Jiri1234,Trusso Sebastiano5678ORCID,Saija Franz5678ORCID

Affiliation:

1. Institute of Biophysics of the Czech Academy of Sciences

2. Královopolská 135

3. 61265 Brno

4. Czech Republic

5. CNR-IPCF

6. Viale Ferdinando Stagno d'Alcontres 37

7. 98158 Messina

8. Italy

Abstract

IR and Raman spectra of bulk liquid water under intense electric fields reveal the contraction of both spectra and the onset of a novel high-frequency librational mode band. Moreover, the water structure evolves toward “ice-like” arrangements.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference76 articles.

1. G. E. Walrafen , Water: A Comprehensive Treatise , ed. F. Franks , Plenum , New York , vol. 1, 1972

2. Simulating Water and the Molecules of Life

3. K. Kaila and B. R.Ransom , pH and brain function , ed. K. Kaila and B. R. Ransom , Wiley , New York , 1998

4. Vibrational Spectroscopy as a Probe of Structure and Dynamics in Liquid Water

5. Communication: Influence of external static and alternating electric fields on water from long-time non-equilibrium ab initio molecular dynamics

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