Ultrafast nonadiabatic photodissociation dynamics of F2 in solid Ar
作者： M. Sukharev , A. Cohen , Robert Benny Gerber , Tamar Seideman
DOI: 10.1134/S1054660X09150389
关键词: Photodissociation 、 Diatomic molecule 、 Surface hopping 、 Atomic physics 、 Semiclassical physics 、 Quantum 、 Physics 、 Lattice (order) 、 Spin-flip 、 Matrix isolation
摘要: We explore the ultrafast spin-flip dynamics in a diatomic molecule imbedded rare gas matrix using combination of quantum mechanical and semiclassical surface hopping method. Specifically, we investigate (1) extent to which phenomenon electronically-localized eigenstates strongly-coupled manifolds survives presence rapid decay multitude electronically coupled states; (2) ability method predict short time dynamics; (3) range over frozen lattice models are valid. Our results point active role played by large number electronic states F2/Ar while substantiating our confidence validity popular approach for system considered.
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Robert Wyatt, John Zhang, Dynamics of molecules and chemical reactions Marcel Dekker. ,(1996)
A. Borowski, O. Kühn, Tailoring model Hamiltonians for dihalogen—rare gas matrix problems Theoretical Chemistry Accounts. ,vol. 117, pp. 521- 533 ,(2007) , 10.1007/S00214-006-0177-2
Joshua Jortner, Stuart A. Rice, Robin M. Hochstrasser, Radiationless Transitions in Photochemistry John Wiley & Sons, Inc.. pp. 149- 309 ,(2007) , 10.1002/9780470133378.CH3
M. Bargheer, R. B. Gerber, M. V. Korolkov, O. Kühn, J. Manz, M. Schröder, N. Schwentner, Subpicosecond spin-flip induced by the photodissociation dynamics of ClF in an Ar matrix Physical Chemistry Chemical Physics. ,vol. 4, pp. 5554- 5562 ,(2002) , 10.1039/B206382D
I. H. Gersonde, H. Gabriel, Molecular dynamics of photodissociation in matrices including nonadiabatic processes Journal of Chemical Physics. ,vol. 98, pp. 2094- 2106 ,(1993) , 10.1063/1.464240
Vincenzo Aquilanti, Gaia Grossi, Angular momentum coupling schemes in the quantum mechanical treatment of P-state atom collisions Journal of Chemical Physics. ,vol. 73, pp. 1165- 1172 ,(1980) , 10.1063/1.440270
V. A. Apkarian, N. Schwentner, Molecular Photodynamics in Rare Gas Solids. Chemical Reviews. ,vol. 99, pp. 1481- 1514 ,(1999) , 10.1021/CR9404609
A.B. Alekseyev, M.V. Korolkov, O. Kühn, J. Manz, M. Schröder, Model simulation of coherent laser control of the ultrafast spin-flip dynamics of matrix-isolated Cl2 Journal of Photochemistry and Photobiology A-chemistry. ,vol. 180, pp. 262- 270 ,(2006) , 10.1016/J.JPHOTOCHEM.2006.02.025
M Bargheer, A Cohen, RB Gerber, M Gühr, MV Korolkov, J Manz, MY Niv, M Schröder, N Schwentner, None, Dynamics of electronic states and spin-flip for photodissociation of dihalogens in matrices: experiment and semiclassical surface-hopping and quantum model simulations for F2 and ClF in solid Ar. Journal of Physical Chemistry A. ,vol. 111, pp. 9573- 9585 ,(2007) , 10.1021/JP071771T
Toni Kiljunen, Jussi Eloranta, Jussi Ahokas, Henrik Kunttu, Magnetic properties of atomic boron in rare gas matrices: An electron paramagnetic resonance study with ab initio and diatomics-in-molecules molecular dynamics analysis Journal of Chemical Physics. ,vol. 114, pp. 7144- 7156 ,(2001) , 10.1063/1.1360796