A Crossed Molecular Beam Imaging Study of the O(1D2)+HCl→OH+Cl(2PJ=3/2, 1/2) Reaction

Kohguchi, Hiroshi; Suzuki, Toshinori

doi:10.1002/cphc.200500650

Cited by 27 publications

(57 citation statements)

References 47 publications

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“…The reaction of electronically excited oxygen with hydrochloric acid has been a focus of several experimental [1][2][3][4][5][6][7][8][9] and theoretical studies. The reaction plays an important role in the modeling of atmospheric chemistry and presents an interesting system for the study of fundamental dynamics.…”

Section: Introductionmentioning

confidence: 99%

Quantum dynamical study of the O(D1)+HCl reaction employing three electronic state potential energy surfaces

Yang

Han

Nanbu

et al. 2008

The Journal of Chemical Physics

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Kinetic and dynamic studies of the Cl(2 P u) + H2O( X ̃ 1 A 1) → HCl( X ̃ 1Σ+) + OH( X ̃ 2Π) reaction on an ab initio based full-dimensional global potential energy surface of the ground electronic state of ClH2O J. Chem. Phys. 139, 074302 (2013) Quantum dynamical calculations are reported for the title reaction, for both product arrangement channels and using potential energy surfaces corresponding to the three electronic states, 1 1 AЈ, 2 1 AЈ, and 1 1 AЉ, which correlate with both reactants and products. The calculations have been performed for J = 0 using the time-dependent real wavepacket approach by Gray and Balint-Kurti ͓J. Chem. Phys. 108, 950 ͑1998͔͒. Reaction probabilities for both product arrangement channels on all three potential energy surfaces are presented for total energies between 0.1 and 1.1 eV. Product vibrational state distributions at two total energies, 0.522 and 0.722 eV, are also presented for both channels and all three electronic states. Product rotational quantum state distributions are presented for both product arrangement channels and all three electronic states for the first six product vibrational states.

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Section: Introductionmentioning

confidence: 99%

Quantum dynamical study of the O(D1)+HCl reaction employing three electronic state potential energy surfaces

Yang

Han

Nanbu

et al. 2008

The Journal of Chemical Physics

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“…In contrast, T rb and T rc are always much longer than τ in the C + C 2 H 3 Cl reaction. Furthermore, the comparisons between the C( 3 P) + C 2 H 3 F reaction 19 with the reactions C( 3 P) + C 2 H 4 15 and O( 1 D) + HCl 31,32 have been stated in Ref. 19.…”

Section: Comparison With the C( 3 P) + C 2 H 3 F Reactionmentioning

confidence: 99%

Exploring the dynamics of C/H and C/Cl exchanges in the C(3P) + C2H3Cl reaction

Lee

Chen

Chin

et al. 2013

The Journal of Chemical Physics

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The dynamics of the C((3)P) + C2H3Cl reaction at collision energy 3.8 kcal mol(-1) was investigated in a crossed molecular-beam apparatus using synchrotron vacuum-ultraviolet ionization. Time-of-flight spectra of products C3H2Cl, C3H3, and Cl were recorded at various laboratory scattering angles, from which translational-energy distributions and angular distributions of product channels C3H2Cl + H and C3H3 + Cl were derived. Cl correlates satisfactorily with C3H3 in linear momentum and angular distributions, which confirms the production of C3H3 + Cl. The H-loss (Cl-loss) channel has average translational-energy release 14.3 (8.8) kcal mol(-1) corresponding to a fraction 0.30 (0.14) of available energy into the translational degrees of freedom of product HCCCHCl + H (H2CCCH + Cl). The branching ratio of channel H to channel Cl was determined approximately as 12:88. The measurements of translational-energy releases and photoionization thresholds cannot distinguish HCCCHCl from H2CCCCl because both isomers have similar enthalpy of formation and ionization energy; nevertheless, the Rice-Ramsperger-Kassel-Marcus calculation prefers HCCCHCl. The measurement of photoionization spectra identifies product C3H3 as H2CCCH (propargyl). Both products C3H2Cl + H and C3H3 + Cl might correlate to the same triplet intermediate H2CCCHCl but have distinct angular distributions; the former is nearly isotropic whereas the latter is forward biased. A comparison with the C((3)P) + C2H3F reaction is stated.

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“…Just recently, the doubly differential cross-sections of Cl( 2 P) for O ( 1 D)+ HCl ? OH + Cl( 2 P) reaction measured by Kohguchi et al [6,7], using the crossed molecular beam imaging technique at E coll = 4.2-6.4 kcal/mol. Furthermore, the quasi-classical trajectory calculation was carried out to elucidate the experimental results.…”

Section: Introductionmentioning

confidence: 99%

“…The reason is due to their important role in atmospheric chemistry. Among these reactions of halogen-containing molecules, interest in the O ( 1 D) + HCl has grown rapidly both from the experimental [3][4][5][6][7][8][9][10][11] and theoretical [12][13][14][15][16][17][18][19][20][21][22][23][24][25][26] viewpoint. From the experimental viewpoint, the branching ratio of the two different product channels (O ( 1 D) + HCl ?…”

Section: Introductionmentioning

confidence: 99%

The stereodynamics of the O (D-1) plus HCl reaction and its isotopic variants (DCl)

Wei

Zhou

et al. 2009

Journal of Molecular Structure: THEOCHEM

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A Crossed Molecular Beam Imaging Study of the O(¹D₂)+HCl→OH+Cl(²P_J=3/2, 1/2) Reaction

Cited by 27 publications

References 47 publications

Quantum dynamical study of the O(D1)+HCl reaction employing three electronic state potential energy surfaces

Quantum dynamical study of the O(D1)+HCl reaction employing three electronic state potential energy surfaces

Exploring the dynamics of C/H and C/Cl exchanges in the C(3P) + C2H3Cl reaction

The stereodynamics of the O (D-1) plus HCl reaction and its isotopic variants (DCl)

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