Physics – Chemical Physics
Scientific paper
2012-01-12
Physics
Chemical Physics
To appear in J. Chem. Phys. (tentatively the 22 January 2012 issue)
Scientific paper
Irradiation of isolated water molecules by few-cycle pulses of intense infrared laser light can give rise to ultrafast rearrangement resulting in formation of the H2+ ion. Such unimolecular reactions occur on the potential energy surface of the H2O2+ dication that is accessed when peak laser intensities in the 1015 W cm-2 range and pulse durations as short as 9-10 fs are used; ion yields of ~1.5% are measured. We also study such reactions by means of time-dependent wavepacket dynamics on an ab initio potential energy surface of the dication and show that a proton, generated from O-H bond rupture, migrates towards the H-atom, and forms vibrationally-excited H2+ in a well-defined spatial zone.
Garg Manish
Mathur Deepak
Tiwari Ashwani K.
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