Competitive channels in the interaction of Xe(3 P J) with Cl2, Br2 and I2. Atom transfer, excitation transfer, energy disposal and product rotational alignment

Johnson, K. H.; Pease, Roland; Simons, John P.; Smith, Peter A.; Kvaran, Ágúst

doi:10.1039/f29868201281

Cited by 22 publications

(6 citation statements)

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“…41.͒ The authors of later studies of the unrelaxed B→X emission have mostly just adopted the Tamagake B and X potentials and ignored the scattering results for the X states. 12,14 From the top part of Fig. 11 it can be seen that the B potential from Ref.…”

Section: Other Workmentioning

confidence: 96%

“…In addition to the studies already discussed in some detail, there has been a considerable effort invested in understanding the bound-free B→X emission of XeBr observed under conditions where a large number of emitting ͑Ј, JЈ͒ levels contribute to the spectra, e.g., low-pressure flow-discharge, 34 resonance-sensitization, 12 and beam-gas experiments. 14 The spectra observed in such experiments often involve quite high Ј levels having wave functions that extend over a large range of R. Accordingly, simulating the B→X spectra requires information about not only the potentials but also the transition moment function ͑which varies too slowly with R to be of importance in the kind of trial- 41, after adjustment of the latter's internuclear distance R e to match observed intensities.…”

Section: Other Workmentioning

confidence: 98%

“…10 However, XeBr remains a topic of fundamental research. [11][12][13][14] The simple models of the RgX molecules were quickly bolstered by ab initio quantum chemical calculations. [15][16][17] Because the valence states arising from ground-term Rg and X atoms were expected to be bound by at most weak van der Waals forces, the charge-transfer ion-pair→valence transitions were predicted to be bound-free in nature.…”

Section: Introductionmentioning

confidence: 99%

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The B(1/2 2P3/2)→X(1/2 2Σ+) transition in XeBr

Tellinghuisen

1995

The Journal of Chemical Physics

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The B(1/2 2P3/2)→X(1/2 2Σ+) transition in XeBr is recorded at high resolution, using a CCD array detector to record spectra from Tesla discharge sources containing isotopically pure 136Xe with 81Br2 or 79Br2. The high signal/noise capabilities of the detector permit the measurement of discrete vibrational structure in this system, which has normally been treated as a purely bound–free transition. The assignments comprise 119 υ′–υ″ bands for 136Xe81Br and 86 for 136Xe79Br, spanning υ′=0–33 and υ″=0–16. The van der Waals ground state is analyzed through fits to the customary polynomials in (υ+1/2) and to near-dissociation expansions. Franck–Condon calculations are used to locate the X-state potential on the internuclear axis relative to the B state, which is modeled as a Rittner potential. The following fundamental spectroscopic constants (units cm−1, for 136Xe81Br) are obtained from the analysis: Te′=35 863.2, ωe′=135.72, ωexe′=0.32, ωe″=25.7, ωexe″=0.62. The ground state has a dissociation energy 𝒟e″=254±2 cm−1 and supports 24 bound vibrational levels.

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Section: Other Workmentioning

confidence: 96%

Section: Other Workmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

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The B(1/2 2P3/2)→X(1/2 2Σ+) transition in XeBr

Tellinghuisen

1995

The Journal of Chemical Physics

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“…Johnson et al (30) studied the reactions of Xe(3P0.2) formed in a rotor-accelerated beam with thermal gases HC1; this work was extended to include the reactions of Xe(3p0,z) with Clz and I2. Johnson et al (31) observed a dependence of the product alignment on the collision energy; the polarization of Jxex perpendicular to k became more pronounced as the collision energy increased. Martin and coworkers (32,33) also used polarized-chemiluminescence detection to probe the velocity dependence of the rotational alignment of the excimer species formed in the reaction of Xe(3p0,2) with a series of halogenated methanes, CH3I, CH212, CH2Br~, CHBr3, CBr4, CHC13, and CC14.…”

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confidence: 98%

Orientation and Alignment of Reaction Products

Orr‐Ewing

Zare

1994

Annu. Rev. Phys. Chem.

353

259

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Ĩ~~~l~!~ "~i~~_._~ Orientation Ensembles of double-and single-headed arrows representing aligned and oriented www.annualreviews.org/aronline Annual Reviews '~ = cos0. 2. The Legendre polynomials are written as P.(~" 2), or P.(cos 0), where, example el(,]" ~) = PI(COS 0) = cos 3. and P2(3" Z) = P2(cos 0) = ½[3 2 0-1], 4. and the Legendre moments, (P,(3.2)), are averages of the P,(3" 2) over the distribution of ~ about 2. If we write the first-and second-order orientation and alignment parameters as A~01) and A~0), respectively, the commonly used definitions are A~õ = (P,0" ~)) = (cos and A~o 2) = 2(P:(]" Z)) = (3 z 0-1) 6.

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“…The analysis of the results permitted an accurate characterization of the ground and lower lying excited states of the weakly bound Rg−F* complexes. Other molecular beam experiments − determined aspects such as cross sections as a function of collision energy and product rotational alignments . Bulk experiments were performed by Setser et al., − who derived, from flowing-afterglow studies, the spectroscopic properties, the disposal of available energy into product vibration and the thermal rate constants, for reactions between metastable rare gas atoms and halide molecules (of the type MX, X 2 , and XY, where M = CH 3 , ... and X,Y = F, Cl, Br, ...).…”

Section: Introductionmentioning

confidence: 99%

Dynamics of Excited Rare-Gas Atoms with Halide Molecules: The Ar(³P) + ClF → ArCl* + F, ArF* + Cl Reaction

et al. 2000

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The product species originating from the interaction between metastable Ar atoms and the ClF molecules were studied using theoretical (structure and dynamics) methods. Quasiclassical trajectory calculations were carried out on an analytical, monovalued potential energy surface. The energy surface was obtained by means of a fit to CIS (UHF) ab initio points calculated for a set of relevant triatomic configurations, adequately connected to assume that the reaction takes place adiabatically. Cross sections, rate constants, and products' energy disposal for both ArCl* and ArF* excimer formation were calculated, showing a dominancy of the less stable ArCl* + F channel. In addition, angular distributions and rotational alignments for both product channels were analyzed. The influence of reactant internal excitation on integral cross sections and product energy distributions was also studied, considering a wide range of initial rovibrational levels. A remarkable enhancing effect of the reactant rotation was found, as compared to vibration, for the ArCl* product, whereas the opposite trend is observed for the ArF* channel. Whenever possible, the observed behavior was related to both HHL and HLH kinematical considerations. The effect of rotational excitation was used as well to elucidate the angular momentum transfer mechanism among the two competing reaction channels. The role of a relevant rotation-orbiting coupling was identified. Results are found to be, overall, in agreement with the available experimental information, for the title reaction as well as other related systems. This indicates that the fundamental assumption of the present work, namely that the reaction proceeds on a single excited adiabatic potential surface, is accurate enough to account for the main trends of the reaction dynamics.

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Competitive channels in the interaction of Xe(3 P J) with Cl2, Br2 and I2. Atom transfer, excitation transfer, energy disposal and product rotational alignment

Cited by 22 publications

References 2 publications

The B(1/2 2P3/2)→X(1/2 2Σ+) transition in XeBr

The B(1/2 2P3/2)→X(1/2 2Σ+) transition in XeBr

Orientation and Alignment of Reaction Products

Dynamics of Excited Rare-Gas Atoms with Halide Molecules: The Ar(³P) + ClF → ArCl* + F, ArF* + Cl Reaction

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Competitive channels in the interaction of Xe(3 P J) with Cl2, Br2 and I2. Atom transfer, excitation transfer, energy disposal and product rotational alignment

Cited by 22 publications

References 2 publications

The B(1/2 2P3/2)→X(1/2 2Σ+) transition in XeBr

The B(1/2 2P3/2)→X(1/2 2Σ+) transition in XeBr

Orientation and Alignment of Reaction Products

Dynamics of Excited Rare-Gas Atoms with Halide Molecules: The Ar(3P) + ClF → ArCl* + F, ArF* + Cl Reaction

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Dynamics of Excited Rare-Gas Atoms with Halide Molecules: The Ar(³P) + ClF → ArCl* + F, ArF* + Cl Reaction