The collisional depolarization of OH(A 2Σ+) and NO(A 2Σ+) with Kr | Zendy

Helen Chadwick | Zendy; M. Brouard | Zendy; YuanPin Chang | Zendy; C. J. Eyles | Zendy; G. McCrudden | Zendy; T. Perkins | Zendy; S. A. Seamons | Zendy; Jacek Kłos | Zendy; Millard H. Alexander | Zendy; Paul J. Dagdigian | Zendy; Diego Herráez-Aguilar | Zendy; F. J. Aoiz | Zendy

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The collisional depolarization of OH(A 2Σ+) and NO(A 2Σ+) with Kr

Author(s) -

Helen Chadwick,

M. Brouard,

YuanPin Chang,

C. J. Eyles,

G. McCrudden,

T. Perkins,

S. A. Seamons,

Jacek Kłos,

Millard H. Alexander,

Paul J. Dagdigian,

Diego Herráez-Aguilar,

F. J. Aoiz

Publication year - 2014

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.4863446

Subject(s) - depolarization , excited state , adiabatic process , atomic physics , krypton , surface hopping , spectroscopy , quenching (fluorescence) , potential energy surface , chemistry , quantum , physics , optics , molecule , xenon , quantum mechanics , fluorescence , medicine , organic chemistry , endocrinology

Quantum beat spectroscopy has been used to measure rate coefficients at 300 K for collisional depolarization for NO(A ²Σ⁺) and OH(A ²Σ⁺) with krypton. Elastic depolarization rate coefficients have also been determined for OH(A) + Kr, and shown to make a much more significant contribution to the total depolarization rate than for NO(A) + Kr. While the experimental data for NO(A) + Kr are in excellent agreement with single surface quasiclassical trajectory (QCT) calculations carried out on the upper 2A ^′ potential energy surface, the equivalent QCT and quantum mechanical calculations cannot account for the experimental results for OH(A) + Kr collisions, particularly at low N. This disagreement is due to the presence of competing electronic quenching at low N, which requires a multi-surface, non-adiabatic treatment. Somewhat improved agreement with experiment is obtained by means of trajectory surface hopping calculations that include non-adiabatic coupling between the ground 1A ^′ and excited 2A ^′ states of OH(X/A) + Kr, although the theoretical depolarization cross sections still significantly overestimate those obtained experimentally

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