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| Title: | Selective control of HOD photodissociation using CW lasers |
| Authors: | SARMA, M ADHIKARI, S MISHRA, MK |
| Keywords: | 1st absorption-band optimized initial-state dependent schrodinger-equation grid hamiltonian method bond breaking water molecule dissociation dynamics photodynamic control chemical-reactions model simulations |
| Issue Date: | 2007 |
| Publisher: | SPRINGER |
| Citation: | JOURNAL OF CHEMICAL SCIENCES,119(5)377-384 |
| Abstract: | Selective control of HOD photodissociation (H-O + D <- HOD -> H + O-D) has been theoretically investigated using CW lasers with appropriate carrier frequency and vertical bar 0, 0 >, vertical bar 0, 1 > and vertical bar 0, 2 > with zero quantum of excitation in the O-H bond and zero, one and two quanta of excitation in the O-D bond as the initial states. Results indicate that the O-H bond in HOD can be selectively dissociated with a maximum flux of 87% in the H + O-D channel from the ground vibrational state vertical bar 0, 0). For the O-D bond dissociation, it requires two quanta of excitation (vertical bar 0, 2 >) in the O-D mode to obtain 83% flux in the H-O + D channel. Use of a two colour laser set-up in conjunction with the field optimized initial state (FOIST) scheme to obtain an optimal linear combination of vertical bar 0, 0 > and vertical bar 0, 1 > vibrational states as the initial state provides an additional 7% improvement to flux in the H-O + D channel as compared to that from the pure vertical bar 0, 1 > state. |
| URI: | http://dx.doi.org/10.1007/s12039-007-0049-x http://dspace.library.iitb.ac.in/xmlui/handle/10054/14537 http://hdl.handle.net/100/1357 |
| ISSN: | 0253-4134 |
| Appears in Collections: | Proceedings papers
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