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

Meez Islam, Ian W. M. Smith, Millard H. Alexander

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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.

Original languageEnglish
Pages (from-to)473-479
JournalPhysical Chemistry Chemical Physics
Volume2
Issue number4
DOIs
Publication statusPublished - 15 Feb 2000

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Infrared radiation
Photodissociation
Potential energy surfaces
collisions
coefficients
Experiments
Scattering
photodissociation
Molecules
potential energy
scattering
molecules

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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",
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.",
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T2 - Comparisons between experiment and theory

AU - Islam, Meez

AU - Smith, Ian W. M.

AU - Alexander, Millard H.

N1 - Author can archive publisher's version/PDF.

PY - 2000/2/15

Y1 - 2000/2/15

N2 - 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.

AB - 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.

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