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Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/jspui/handle/10054/4446

Title: Selective photodissociation of O-H and O-D bonds from ground vibrational state of HOD using simple UV pulses
Authors: SARMA, M
ADHIKARI, S
MISHRA, MK
Keywords: 1st absorption-band
dependent schrodinger-equation
optimized initial-state
molecular-dynamics
model simulations
water molecule
laser-pulse
breaking
h2o
dissociation
Issue Date: 2007
Publisher: AMER INST PHYSICS
Citation: JOURNAL OF CHEMICAL PHYSICS, 127(2), -
Abstract: Selective cleaving of both O-H and O-D bonds in HOD is achieved using reasonably simple UV pulses to excite the HOD molecule in its ground vibrational state to the repulsive first excited A (B-1(1)) surface. Detailed theoretical analysis of population transfer and flux in theH+O-D/H-O+D channels reveals an important preparatory role for the cross-talk between the participating levels and a possible role for the beat structure of the population transfer oscillations in facilitating selective dissociation. Excitation using a 50 fs single color 67 169 cm(-1) laserpulse achieves a branching ratio H+O-D/H-O+D=5.64 with 82% flux in theH+O-D channel and 15% in the H-O+D channel. A two color 50 fs laser pulse with frequencies of 54 920 and 52 303 cm(-1) provides a branching ratio of H-O+D/H+O-D=2.83 and 52% flux in the H-O+D channel and 18% in the H+O-D channel. (C) 2007
URI: http://dx.doi.org/10.1063/1.2751185
http://dspace.library.iitb.ac.in/xmlui/handle/10054/4446
http://hdl.handle.net/10054/4446
ISSN: 0021-9606
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