Repository: Freie Universit├Ąt Berlin, Math Department

Quantum Dynamics of the Photodissociation of Hydrogen Halides in Rare Gas Matrices. I. The Initial State

Schmidt, B. and Jungwirth, P. and Gerber, R. B. (1996) Quantum Dynamics of the Photodissociation of Hydrogen Halides in Rare Gas Matrices. I. The Initial State. In: Ultrafast Chemical and Physical Processes in Molecular System. World Scientific, Singapore, pp. 637-640.

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Abstract

The present study focusses on the rotational motion of HCl molecules embedded in an Ar matrix. Assuming the HCl molecules to occupy substitutional sites in the fcc lattice, rotational wavefunctions for the vibrational and electronic ground state are obtained. Both the energetics and the spatial structures of the wavefunctions are investigated. While the J=0 and the J=1 state show relatively little matrix effects, all levels for J>1 are split by the crystal field. A possible control of the photodissociation dynamics by selection of rotational states of different spatial orientation is discussed.

Item Type:Book Section
Subjects:Physical Sciences > Physics > Mathematical & Theoretical Physics > Computational Physics
Physical Sciences > Chemistry > Physical Chemistry
Physical Sciences > Physics > Chemical Physics
ID Code:878
Deposited By: Burkhard Schmidt
Deposited On:18 Mar 2010 14:01
Last Modified:03 Mar 2017 14:40

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