TITLE

Photodissociation dynamics of HCl in solid Ar: Cage exit, nonadiabatic transitions, and

AUTHOR(S)
Krylov, Anna I.; Gerber, R. Benny
PUB. DATE
April 1997
SOURCE
Journal of Chemical Physics;4/22/1997, Vol. 106 Issue 16, p6574
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Studies the photodissociation of hydrochloric acid in solid argon by non-adiabatic Molecular Dynamics simulations, based on surface-hopping treatment of transitions between different electronic states. Time-dependence of cage exit and of recombination; Yields for caege exit and for recombination; Cage exit and cooling mechanism for the hydrogen atom.
ACCESSION #
4266764

 

Related Articles

  • Hybrid quantum/semiclassical wave packet method for molecular dynamics: Application to photolysis of Ar...HCl. García-Vela, A.; Gerber, R. B. // Journal of Chemical Physics;1/1/1993, Vol. 98 Issue 1, p427 

    A hybrid quantum/semiclassical method is proposed and applied to study realistically the dynamics of the three-fragment photodissociation process Ar...HCl+hν→Ar+H+Cl. In the method the hydrogen motion is treated by exact quantum mechanics, while the heavy atoms are described by...

  • A theoretical study of photofragmentation and geminate recombination of ICN in solid Ar. Alberti, S. Fernandez; Halberstadt, N. // Journal of Chemical Physics;8/15/1998, Vol. 109 Issue 7, p2844 

    Examines the photodissociation of ICN in an argon matrix. Instrument used in the coupling between electronic states at large I-CN internuclear distances; Reaction path involved in the principal mechanism for geminate recombination; Use of diatomic in molecules treatment of the mixture of...

  • Photodissociation dynamics of argon cluster ions. Ikegami, Tsutomu; Iwata, Suehiro // Journal of Chemical Physics;5/1/1999, Vol. 110 Issue 17, p8492 

    Studies the photodissociation process of argon cluster ions by using Tully's molecular dynamics with quantum transition method. Role of the nonadiabatic transition on the process; Recovery of a lifetime of an initial photoexcited state and recovery time to the electronic ground state for...

  • ...gas release forces evacuation in Houston.  // Chemical Week;5/29/1996, Vol. 158 Issue 21, p5 

    Reports on the number of people that were evacuated from an industrial area in Houston, Texas on May 20, 1996 when hydrochloric acid (ACI) gas was accidentally released.

  • Analytical semiclassical calculation of photodissociation of the HCl molecule. Duhoo, Thierry; Pouilly, Brigitte // Journal of Chemical Physics;7/1/1995, Vol. 103 Issue 1, p182 

    This paper describes an analytical method to the solution of semiclassical first-order, time-dependent coupled equations in the case of a three states process. The method is applied to the study of the photodissociation of the HCl molecule. The results of the semiclassical instantaneous...

  • Effect of the acid matrix on the analysis of some noble... de Klerk, Arno; Rademeyer, Cor J. // South African Journal of Chemistry;Sep97, Vol. 50 Issue 3, p133 

    Presents a study conducted to determine the effect of hydrochloric acid on the analysis of gold, iridium, palladium, platinum, phenyl group and ruthenium. Previous reports about the effects of hydrochloric, nitric and sulfuric acid on the signal intensity of selected noble metal emission lines;...

  • Reactive scattering of Na(3 2P3/2)+HCl. Vernon, M. F.; Schmidt, H.; Weiss, P. S.; Covinsky, M. H.; Lee, Y. T. // Journal of Chemical Physics;5/15/1986, Vol. 84 Issue 10, p5580 

    The reaction of electronically excited Na(3P) atoms with HCl has been studied in a crossed molecular beams experiment. At collision energies slightly above the endoergicity of the reaction, Na(3P) shows a dramatic enhancement of reactivity over ground state Na(3S). Detailed measurements of the...

  • Nonadiabatic dynamics in the CH3+HCl→CH4+Cl(2PJ) reaction. Retail, Bertrand; Pearce, Julie K.; Murray, Craig; Orr-Ewing, Andrew J. // Journal of Chemical Physics;3/8/2005, Vol. 122 Issue 10, p101101 

    Nonadiabatic dynamics in the title reaction have been investigated by 2+1 REMPI detection of the Cl(2P3/2) and Cl*(2P1/2) products. Reaction was initiated by photodissociation of CH3I at 266 nm within a single expansion of a dilute mixture of CH3I and HCl in argon, giving a mean collision energy...

  • Spectral shapes of Ar-broadened HCl lines in the fundamental band by classical molecular dynamics simulations and comparison with experiments. Tran, H.; Domenech, J.-L. // Journal of Chemical Physics;8/14/2014, Vol. 141 Issue 6, p1 

    Spectral shapes of isolated lines of HCl perturbed by Ar are investigated for the first time using classical molecular dynamics simulations (CMDS). Using reliable intermolecular potentials taken from the literature, these CMDS provide the time evolution of the auto-correlation function of the...

Share

Read the Article

Courtesy of MICHIGAN ELIBRARY

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics