Repository: Freie Universit├Ąt Berlin, Math Department

Non-Adiabatic Chemical Reaction Triggered by Electron Photodetachment: An ab initio Quantum Dynamical Study

Ronen, S. and Nachtigallova, D. and Schmidt, B. and Jungwirth, P. (2004) Non-Adiabatic Chemical Reaction Triggered by Electron Photodetachment: An ab initio Quantum Dynamical Study. Phys. Rev. Lett., 93 (4). 048301.

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Official URL: http://dx.doi.org/10.1103/PhysRevLett.93.048301

Abstract

Dynamics following electron photodetachment in a complex of a chloride anion with ammonia is explored by a combination of electronic structure and quantum dynamical methods. This system serves as a prototype for investigating a hithertho unexplored class of chemical reactions - non-adiabatic proton transfer triggered by a detachment of an electron. All the reactive and non-reactive channels of this process are characterized and the respective quantum yields are presented.

Item Type:Article
Subjects:Mathematical and Computer Sciences > Mathematics
Divisions:Department of Mathematics and Computer Science > Institute of Mathematics
Department of Mathematics and Computer Science > Institute of Mathematics > BioComputing Group
ID Code:66
Deposited By: Admin Administrator
Deposited On:03 Jan 2009 20:20
Last Modified:03 Mar 2017 14:39

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