A time domain photoacoustic study of the collisional relaxation of vibrationally excited H2

Kreutz, Thomas G.; Gelfand, Jack; Miles, Richard B.; Rabitz, Herschel

doi:10.1016/0301-0104(88)87060-5

Cited by 33 publications

(25 citation statements)

References 38 publications

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“…It is not until higherpressure samples at rotational equilibrium are prepared that the slower detection methods such as time domain photoacoustic Raman spectroscopy ͑PARS͒ can be used to study the vibrational exchange. 8 Current theoretical models reflect these experimental constraints, specifically, vibrational energy-transfer studies at high pressure typically assume that the rotational levels have achieved thermal equilibrium.…”

Section: Introductionmentioning

confidence: 99%

Energy-transfer dynamics of high-pressure rovibrationally excited molecular H2

Saiki

Chinn

Kelly

et al. 2005

The Journal of Chemical Physics

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The energy-transfer dynamics of high-pressure molecular H(2) gas initially prepared in the |X (1)Sigma(g) (+),v = 1,J = 1 state using stimulated Raman pumping are probed with rotational Raman scattering. A computer simulation that incorporates the effects of collision-induced vibrational energy transfer is described and used to fit the experimental Raman scattering results obtained as a function of the pump/probe delay time. The 4.78 x 10(-14) +/- 3.85 x 10(-16) cm(3) s(-1) molecule(-1) vibrational energy-transfer rate for decay from the |X (1)Sigma(g) (+),v = 1,J = 1 >state compares well with other lower-pressure studies.

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Section: Introductionmentioning

confidence: 99%

Energy-transfer dynamics of high-pressure rovibrationally excited molecular H2

Saiki

Chinn

Kelly

et al. 2005

The Journal of Chemical Physics

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“…For both processes, the measured rate coefficients were found to be comparable to previous experimental results of Kreutz et al 25 and Farrow and…”

Section: Thesis Outlinesupporting

confidence: 89%

A quasiclassical trajectory study of H2 + H2 energy transfer: a survey of applicability of detailed balance

Akter¹

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State-to-state cross sections and a survey of detailed balance for transitions among the vibrational and rotational (v, j) states of H 2 1 g + below 37 mE h as the result of collisions in the H 2 + H 2 system were determined by using the quasiclassical trajectory (QCT) method. Study of this system is necessary for an improved understanding of the kinetics in the interstellar medium to model processes occurring in the molecular clouds. sections were examined for agreement with microscopic reversibility. In the majority of cases the agreement was poor. Consequently the conclusion is that QCT is not a viable method for the evaluation of state-to-state rate coefficients in the H 2 + H 2 system.ii

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“…A detailed dynamical investigation will probe a significantly larger area of the PES and test its validity by comparing with available experimental measurements. [5][6][7][8][9] Work in this direction is underway in our laboratory. It can also be modified to study reactive scattering, an important aspect of dynamics that has attracted some recent theoretical attention.…”

Section: Discussionmentioning

confidence: 99%

“…2 In order to model the kinetics and thermal balancing in these circumstances, accurate rovibrational transition rate constants are essential. For these reasons, there have been keen experimental [3][4][5][6][7][8][9] and theoretical 2,10-25 interests in elucidating state-to-state collision dynamics between hydrogen molecules.…”

Section: Introductionmentioning

confidence: 99%

Full-dimensional quantum wave packet study of rotationally inelastic transitions in H2+H2 collision

Lin

Guo

2002

The Journal of Chemical Physics

101

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We report full-dimensional accurate quantum dynamical calculations of the rotationally inelastic collision: para-H 2 ( 1 ϭ0,j 1 ϭ0)ϩpara-H 2 ( 2 ϭ0,j 2 ϭ0)→para-H 2 ( 1 ϭ0,j 1 Ј)ϩpara-H 2 ( 2 ϭ0,j 2 Ј), using a wave packet approach based on the Chebyshev polynomial expansion of Green's operator. The six-dimensional Hamiltonian within the coupled-states approximation is discretized in a mixed grid/basis representation and its action is computed in appropriate representations facilitated by a series of one-dimensional pseudo-spectral transformations. Both the parity and diatomic exchange symmetry are adapted. The S-matrix elements for the rotational transitions are obtained at all energies by the Fourier transform of Chebyshev correlation functions and used to compute transition probabilities, differential and integral cross sections, and state-resolved thermal rate constants. Results are compared for two recently proposed ab initio based potential energy surfaces and with previous quantum results.

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A time domain photoacoustic study of the collisional relaxation of vibrationally excited H2

Cited by 33 publications

References 38 publications

Energy-transfer dynamics of high-pressure rovibrationally excited molecular H2

Energy-transfer dynamics of high-pressure rovibrationally excited molecular H2

A quasiclassical trajectory study of H2 + H2 energy transfer: a survey of applicability of detailed balance

Full-dimensional quantum wave packet study of rotationally inelastic transitions in H2+H2 collision

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