Selective vibrational excitations in the OX (X=F, Cl, Br, I) molecules

Literature Information

Publication Date 2000-03-01
DOI 10.1039/A908993D
Impact Factor 3.676
Authors

Cristina Puzzarini, Maria Pilar de Lara Castells


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Abstract

Using ab initio calculated potential energy and electric dipole moment functions for the X2Π states of OF, OCl, OBr and OI, two models have been tested to selectively populate their vibrational modes by ultrashort coherent light pulses. For a given form of the pulses either a perturbative approach using discrete vibrational eigenstates and electric dipole transition moment matrix elements or a wavepacket propagation technique were used. The optimisation of the pulse parameters and the mechanisms of the multiphoton processes are discussed. For the target level v=10 populations of more than 60% have been achieved in all four molecules. For OCl it was possible to populate selectively all target levels between v=2 and v=15 using chirped pulses.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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