Differential scattering cross-sections for CNA2Π+Ar

Abstract

(1999) 'A failing of coupled-states calculations for inelastic and pressure-broadening cross sections : calculations on CO2Ar.', Journal of chemical physics., 111 (13). pp. 5824-5828. Further information on publisher's website: http://dx. The full-text may be used and/or reproduced, and given to third parties in any format or medium, without prior permission or charge, for personal research or study, educational, or not-for-prot purposes provided that: • a full bibliographic reference is made to the original source • a link is made to the metadata record in DRO • the full-text is not changed in any way The full-text must not be sold in any format or medium without the formal permission of the copyright holders. Please consult the full DRO policy for further details. Close coupling calculations for rotational relaxation of CO in argon: Accuracy of energy corrected sudden scaling procedures and comparison with experimental data Comparison of an ab initio calculation of the CO-Ar P(2) line shape with high-resolution measurements AIP Conf. Energy corrected sudden calculations of line widths and line shapes based on coupled states cross sections: The test case of CO 2-argon AIP Conf. Fully quantal benchmark calculations of pressure-broadening cross sections for infrared and Raman lines of CO 2 perturbed by Ar are carried out using both close-coupling CC and coupled-states CS calculations. CS calculations are found to underestimate the cross sections by up to 15%. The effect occurs even for isotropic Raman cross sections, which are not affected by reorientation contributions. The discrepancy arises mostly for collisions with large orbital angular momenta l, occurring on the long-range part of the potential. It may be attributed to collisions that are adiabatic rather than sudden in nature. A hybrid computational method, employing CS calculations for low l and decoupled l-dominant DLD calculations for high l, offers a promising solution.

Collisions of electronically excited molecules: differential cross-sections for rotationally inelastic scattering of NO(A2Σ+) with Ar and He

“…Excited state vector measurements are challenging, although one approach that has seen considerable recent activity is the laser-based measurement of the removal of rotational angular momentum in a thermal collision bath, and associated theoretical development [24][25][26][27]. The few measurements of differential scattering cross-sections (DCS) for electronically excited species are essentially limited to experiments combining the 'photo-loc' method with optical pumping in a thermal bath to study CN(A 2 Å) þ Ar collisions [28], and our proof-of-concept publication of the technique applied in this current paper [29].…”

Elastic depolarization and polarization transfer in CN(A2Π,v= 4)+Ar collisions

“…58,59,61 In essence, the experiments used three separate laser systems: a pulsed photolysis beam to generate CN(X) from ICN; a pulsed pump beam to excite a unique spectroscopic level in CN(A 2 Π, v = 4); and a cw probe beam to monitor the time evolution of either the prepared level, or a collisional product level.…”

“…CN has become one of the prototype systems for state-resolved energy transfer, owing to its experimental convenience, and for collisions with noble gas atoms, its theoretical tractability. 44 59 These experiments exploited the 'photo-loc' technique, pumping a photolytically generated anisotropic velocity distribution to a selected rovibronic and Λ-doublet defined state, and probing the state-resolved product velocity distribution.…”

Communication: Direct angle-resolved measurements of collision dynamics with electronically excited molecules: NO(A2Σ+) + Ar

“…[1][2][3] While these studies have proven quite informative, very few direct quantum state-and angleresolved measurements of excited-state collisional dynamics exist. 4 Angle-resolved (crossed-beam 4 and photoloc [5][6][7][8] ) measurements necessarily provide more information about the collision dynamics than rates and integral cross sections, and provide a far greater sensitivity to the full range of the interaction potential. 6,7,9 We demonstrate here that sufficient concentrations of short-lived electronically excited species can be generated by laser excitation in routine crossed-beam experiments to allow direct quantum-state-and angle-resolved measurements to be performed using velocity-mapped ion imaging.…”