Dynamics of energy transfer in collisions of O{[3.sup.P]} atoms with a 1-decanethiol self-assembled monolayer surface

Article Abstract:

Chemical dynamics simulations of energy transfer in collisions of O{[3.sup.P]} atoms with a 300K 1-decanethiol self-assembled monolayer (H-SAM) surface are described. The O{[3.sup.P]} + H-SAM potential energy surface incorporates an accurate intermolecular potential for nonreactive interactions and does not include a potential for the reactive channels, giving correct inelastic scattering dynamics in the absence of chemical reactions with the surface.

Oxygen, Industrial Gas Manufacturing, Industrial gases, Monomolecular films, Atomic properties

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Test of a chemical timing method for measuring absolute vibrational relaxation rate constants for S1 p-difluorobenzene

Article Abstract:

A series of state-to-field vibrational energy transfer studies provides vibrational energy transfer rate constants for S1 p-difluorobenzene in collision with rare gases. The rate constants are measured for initial levels of higher and higher energy to gain information about the virtue of using Lennard-Jones rate constants in the modeling of the active or deactivation steps in thermal unimolecular reactions.

Petrochemical Manufacturing, Benzene, Chemical properties

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A chemical timing method for absolute vibrational relaxation rate constants in the vibrational quasi-continuum region of S1 p-difluorobenzene

Article Abstract:

A method has been developed to measure the absolute rate constant for state-to-field vibrational energy transfer (VET) involving a high region of the S1 p-difluorobenzene (pDFB) vibrational manifold, where states form a quasi-continuum. A study designed to give experimental information about the absolute magnitude of vibrational energy transfer (VET) rate constants is reported.

Vibration, Vibration (Physics), Energy transfer

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