State-to-state rate coefficients for transfer from the rotational levels J = 7.5, 20.5, 31.5 and 40.5 in NO(X 2II( 1/2 ), v = 2) in collisions with He, Ar and N2 and for J = 7.5, 20.5 and 31.5 in collisions with NO: Comparisons between experiment and theory

Hdl Handle:
http://hdl.handle.net/10149/98577
Title:
State-to-state rate coefficients for transfer from the rotational levels J = 7.5, 20.5, 31.5 and 40.5 in NO(X 2II( 1/2 ), v = 2) in collisions with He, Ar and N2 and for J = 7.5, 20.5 and 31.5 in collisions with NO: Comparisons between experiment and theory
Authors:
Islam, M. (Meezanul); Smith, I. W. M. (Ian); Alexander, M. H. (Millard)
Affiliation:
University of Birmingham. School of Chemistry; University of Teesside. School of Science and Technology.
Citation:
Islam, M., Smith, I. W. M. and Alexander, M. H. (2000) 'State-to-state rate coefficients for transfer from the rotational levels J = 7.5, 20.5, 31.5 and 40.5 in NO(X 2II( 1/2 ), v = 2) in collisions with He, Ar and N2 and for J = 7.5, 20.5 and 31.5 in collisions with NO: Comparisons between experiment and theory', Physical Chemistry Chemical Physics, 2 (4), pp.473-479.
Publisher:
Royal Society of Chemistry
Journal:
Physical Chemistry Chemical Physics
Issue Date:
15-Feb-2000
URI:
http://hdl.handle.net/10149/98577
DOI:
10.1039/a906693d
Abstract:
Using the infrared-ultraviolet double resonance (IRUVDR) technique, state-to-state rate coefficients have been measured for the transfer of NO from the initial rovibronic levels (X 2II( 1/2 ), v = 2, J(i) = 7.5, 20.5 and 31.5) in collisions with He, Ar, N2 and NO itself. For relaxation by He, Ar and N2 from the rotational level J(i) = 40.5, rate coefficients were measured by a new method in which IRUVDR was implemented instantly on NO molecules formed by photodissociation of NO2 at 355 nm. As J(i) is increased the distribution of states (J(f)) was found to change in two ways: (a) the distribution of ΔJ (= J(f) - J(i)) values becomes narrower, and (b) negative values of ΔJ are increasingly favoured over positive values. Thus > 80% of the transfer from J(i) = 40.5 is to J(f) = 39.5. As with the earlier experimental results for total transfer, the present results for NO-He and NO-Ar collisions are shown to agree quite well with those from coupled states quantum scattering calculations on ab initio potential energy surfaces, although the agreement becomes poorer at high J(i). Possible reasons for this discrepancy are discussed.
Type:
Article
Language:
en
Keywords:
nitric oxide; article; calculation; energy transfer; mathematical analysis; molecular dynamics; molecular interaction; reaction analysis
ISSN:
1463-9076; 1463-9084
Rights:
Author can archive publisher's version/PDF. For full details see http://www.sherpa.ac.uk/romeo/ [Accessed 12/05/2010]
Citation Count:
13 [Scopus, 12/05/2010]

Full metadata record

DC FieldValue Language
dc.contributor.authorIslam, M. (Meezanul)en
dc.contributor.authorSmith, I. W. M. (Ian)en
dc.contributor.authorAlexander, M. H. (Millard)en
dc.date.accessioned2010-05-12T08:54:32Z-
dc.date.available2010-05-12T08:54:32Z-
dc.date.issued2000-02-15-
dc.identifier.citationPhysical Chemistry Chemical Physics; 2(4):473-479en
dc.identifier.issn1463-9076-
dc.identifier.issn1463-9084-
dc.identifier.doi10.1039/a906693d-
dc.identifier.urihttp://hdl.handle.net/10149/98577-
dc.description.abstractUsing the infrared-ultraviolet double resonance (IRUVDR) technique, state-to-state rate coefficients have been measured for the transfer of NO from the initial rovibronic levels (X 2II( 1/2 ), v = 2, J(i) = 7.5, 20.5 and 31.5) in collisions with He, Ar, N2 and NO itself. For relaxation by He, Ar and N2 from the rotational level J(i) = 40.5, rate coefficients were measured by a new method in which IRUVDR was implemented instantly on NO molecules formed by photodissociation of NO2 at 355 nm. As J(i) is increased the distribution of states (J(f)) was found to change in two ways: (a) the distribution of ΔJ (= J(f) - J(i)) values becomes narrower, and (b) negative values of ΔJ are increasingly favoured over positive values. Thus > 80% of the transfer from J(i) = 40.5 is to J(f) = 39.5. As with the earlier experimental results for total transfer, the present results for NO-He and NO-Ar collisions are shown to agree quite well with those from coupled states quantum scattering calculations on ab initio potential energy surfaces, although the agreement becomes poorer at high J(i). Possible reasons for this discrepancy are discussed.en
dc.language.isoenen
dc.publisherRoyal Society of Chemistryen
dc.rightsAuthor can archive publisher's version/PDF. For full details see http://www.sherpa.ac.uk/romeo/ [Accessed 12/05/2010]en
dc.subjectnitric oxideen
dc.subjectarticleen
dc.subjectcalculationen
dc.subjectenergy transferen
dc.subjectmathematical analysisen
dc.subjectmolecular dynamicsen
dc.subjectmolecular interactionen
dc.subjectreaction analysisen
dc.titleState-to-state rate coefficients for transfer from the rotational levels J = 7.5, 20.5, 31.5 and 40.5 in NO(X 2II( 1/2 ), v = 2) in collisions with He, Ar and N2 and for J = 7.5, 20.5 and 31.5 in collisions with NO: Comparisons between experiment and theoryen
dc.typeArticleen
dc.contributor.departmentUniversity of Birmingham. School of Chemistry; University of Teesside. School of Science and Technology.en
dc.identifier.journalPhysical Chemistry Chemical Physicsen
ref.citationcount13 [Scopus, 12/05/2010]en
or.citation.harvardIslam, M., Smith, I. W. M. and Alexander, M. H. (2000) 'State-to-state rate coefficients for transfer from the rotational levels J = 7.5, 20.5, 31.5 and 40.5 in NO(X 2II( 1/2 ), v = 2) in collisions with He, Ar and N2 and for J = 7.5, 20.5 and 31.5 in collisions with NO: Comparisons between experiment and theory', Physical Chemistry Chemical Physics, 2 (4), pp.473-479.-
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