Simulation of resonance Raman spectra of the solvated electron in water and methanol

Stefanie Neumann; Wolfgang Eisfeld; Andrzej L. Sobolewski; Wolfgang Domcke

doi:10.1016/B978-044452821-6/50026-5

Simulation of resonance Raman spectra of the solvated electron in water and methanol

Stefanie Neumann
, Wolfgang Eisfeld
, Andrzej L. Sobolewski
, Wolfgang Domcke

Chair of Theoretical Chemistry

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

4 Scopus citations

Abstract

The solvated electron in various solvents is a well-known and important species throughout chemistry, physics, and biology. The optical absorption spectra of the solvated electron in different solvents consist of a single broad and asymmetric band. This chapter deals with the simulation of resonance Raman spectra of the solvated electron in water and methanol. Resonance-Raman spectra of the solvated electron in water and several alcohols are obtained. The generally accepted model for the description of the microscopic structure of the solvated electron in liquid water and alcohols is the cavity model in which the electron is supposed to be localized within a cavity of a hydrogen-bonded network of the solvent molecules. The cluster model of the solvated electron is designed for the solvated electron in water.

Original language	English
Title of host publication	Femtochemistry VII
Publisher	Elsevier
Pages	154-162
Number of pages	9
ISBN (Print)	9780444528216
DOIs	https://doi.org/10.1016/B978-044452821-6/50026-5
State	Published - 2006

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title = "Simulation of resonance Raman spectra of the solvated electron in water and methanol",

abstract = "The solvated electron in various solvents is a well-known and important species throughout chemistry, physics, and biology. The optical absorption spectra of the solvated electron in different solvents consist of a single broad and asymmetric band. This chapter deals with the simulation of resonance Raman spectra of the solvated electron in water and methanol. Resonance-Raman spectra of the solvated electron in water and several alcohols are obtained. The generally accepted model for the description of the microscopic structure of the solvated electron in liquid water and alcohols is the cavity model in which the electron is supposed to be localized within a cavity of a hydrogen-bonded network of the solvent molecules. The cluster model of the solvated electron is designed for the solvated electron in water.",

author = "Stefanie Neumann and Wolfgang Eisfeld and Sobolewski, \{Andrzej L.\} and Wolfgang Domcke",

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T1 - Simulation of resonance Raman spectra of the solvated electron in water and methanol

AU - Neumann, Stefanie

AU - Eisfeld, Wolfgang

AU - Sobolewski, Andrzej L.

AU - Domcke, Wolfgang

PY - 2006

Y1 - 2006

N2 - The solvated electron in various solvents is a well-known and important species throughout chemistry, physics, and biology. The optical absorption spectra of the solvated electron in different solvents consist of a single broad and asymmetric band. This chapter deals with the simulation of resonance Raman spectra of the solvated electron in water and methanol. Resonance-Raman spectra of the solvated electron in water and several alcohols are obtained. The generally accepted model for the description of the microscopic structure of the solvated electron in liquid water and alcohols is the cavity model in which the electron is supposed to be localized within a cavity of a hydrogen-bonded network of the solvent molecules. The cluster model of the solvated electron is designed for the solvated electron in water.

AB - The solvated electron in various solvents is a well-known and important species throughout chemistry, physics, and biology. The optical absorption spectra of the solvated electron in different solvents consist of a single broad and asymmetric band. This chapter deals with the simulation of resonance Raman spectra of the solvated electron in water and methanol. Resonance-Raman spectra of the solvated electron in water and several alcohols are obtained. The generally accepted model for the description of the microscopic structure of the solvated electron in liquid water and alcohols is the cavity model in which the electron is supposed to be localized within a cavity of a hydrogen-bonded network of the solvent molecules. The cluster model of the solvated electron is designed for the solvated electron in water.

UR - https://www.scopus.com/pages/publications/84882501399

U2 - 10.1016/B978-044452821-6/50026-5

DO - 10.1016/B978-044452821-6/50026-5

M3 - Chapter

AN - SCOPUS:84882501399

SN - 9780444528216

SP - 154

EP - 162

BT - Femtochemistry VII

PB - Elsevier

ER -

Simulation of resonance Raman spectra of the solvated electron in water and methanol

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