Selective photodissociation of O-H and O-D bonds from ground vibrational state of HOD using simple UV pulses
DSpace at IIT Bombay
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Title |
Selective photodissociation of O-H and O-D bonds from ground vibrational state of HOD using simple UV pulses
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Creator |
SARMA, M
ADHIKARI, S MISHRA, MK |
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Subject |
1st absorption-band
dependent schrodinger-equation optimized initial-state molecular-dynamics model simulations water molecule laser-pulse breaking h2o dissociation |
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Description |
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
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Publisher |
AMER INST PHYSICS
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Date |
2011-07-16T14:07:58Z
2011-12-26T12:49:48Z 2011-12-27T05:35:31Z 2011-07-16T14:07:58Z 2011-12-26T12:49:48Z 2011-12-27T05:35:31Z 2007 |
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Type |
Article
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Identifier |
JOURNAL OF CHEMICAL PHYSICS, 127(2), -
0021-9606 http://dx.doi.org/10.1063/1.2751185 http://dspace.library.iitb.ac.in/xmlui/handle/10054/4446 http://hdl.handle.net/10054/4446 |
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Language |
en
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