TY - JOUR
T1 - Resonances in the UV photodissociation of the Ar...HCl van der Waals complex? An exact quantum 3D wave packet study
AU - Schröder, Thomas
AU - Schinke, Reinhard
AU - Bačić, Zlatko
N1 - Funding Information:
ZB gratefully acknowledges support from the National Science Foundation through Grant CHE-9312312.
PY - 1995/3/24
Y1 - 1995/3/24
N2 - We investigate the 'one-atom cage effect' in the ultraviolet photodissociation of HCl in the Ar...HCl van der Waals complex, in particular the possibility of resonance structures caused by trapping of the hydrogen atom between its heavy partners Ar and Cl. The dynamics are treated by solving exactly the time-dependent Schrödinger equation using the usual Jacobi coordinates for a triatomic molecule. The kinetic energy distribution of the H atom and the absorption spectrum are both completely structureless, demonstrating that trapping of hydrogen is negligibly small and ruling out the cage effect in Ar...HCl.
AB - We investigate the 'one-atom cage effect' in the ultraviolet photodissociation of HCl in the Ar...HCl van der Waals complex, in particular the possibility of resonance structures caused by trapping of the hydrogen atom between its heavy partners Ar and Cl. The dynamics are treated by solving exactly the time-dependent Schrödinger equation using the usual Jacobi coordinates for a triatomic molecule. The kinetic energy distribution of the H atom and the absorption spectrum are both completely structureless, demonstrating that trapping of hydrogen is negligibly small and ruling out the cage effect in Ar...HCl.
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U2 - 10.1016/0009-2614(95)00131-M
DO - 10.1016/0009-2614(95)00131-M
M3 - Article
AN - SCOPUS:0001311691
VL - 235
SP - 316
EP - 320
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 3-4
ER -