Thermochemical and kinetic studies of the xenon halide B and C states in 0.5-5 atmospheres of buffer gas

Yu, Y. C.; Setser, D. W.; Horiguchi, Hiroyuki

doi:10.1021/j100235a032

Cited by 54 publications

(5 citation statements)

References 8 publications

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“…When Cla is promoted to its repulsive lII or 3I-I potentials, in our case by 308 nm excitation, the recombinant A' X emission is observed (see Figure !). This emission has been observed previously by Andrews et al 6 and subsequently reassigned by Bondybey et al :zl to A'(3I-I:zu) X(1E-), namely: emission from the lowest excited electronic state of C12 to the ground state. In dilute matrices the rise of this fluorescence is prompt, and its decay is radiative.…”

Section: Cage Effect and Permanent Dissociationsupporting

confidence: 69%

Condensed Phase Laser InducedHarpoon Reactions

et al. 1988

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Laser induced charge transfer reactions of halogens in rare gas solids and liquids provide a powerful means for the study of condensed phase dynamics. Many-body effects with respect to both electronic and nuclear coordinates, and cooperative interactions with radiation fields, are some of the studied phenomena that are highlighted in this article.The pertinence of these ionic reactions to chemistry in solids is demonstrated in photodissociation studies of molecular halogens in rare gas matrices. The coexistence of both delocalized and localized charge transfer states in solid xenon doped with atomic halogens is presented and dynamical consequences—charge separation, self-trapping and energy storage—are discussed. Static and dynamic solvent effects in liquid phase harpoon reactions are considered. The characterization of cooperative excitations— two-photon, two-electron transitions—in liquid solutions is presented.

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Section: Cage Effect and Permanent Dissociationsupporting

confidence: 69%

Condensed Phase Laser InducedHarpoon Reactions

et al. 1988

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“…Quenching rate constants for XeF* were again calculated from literature data. The lifetimes of the two XeF* states have been determined as τ B = 14 ns and τ C = 100 ns; ,− however, as the energy separation of these states is relatively large, ∼610 cm -1 , the equilibrium coupling constant is very small, K eq = 0.071. The effective emission lifetime is therefore calculated as k 7 = 6.7 × 10 7 s -1 .…”

Section: Resultsmentioning

confidence: 99%

Absolute Fluorescence Yields from Electron-Irradiated Gases. 2. KrF* and XeF*

1996

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Absolute total fluorescence yields for the KrF*(B,C) and XeF*(B,C) states have been determined from pulse-electron-irradiated Kr/SF6 and Xe/SF6 gas mixtures. By application of established formation and quenching mechanisms and rate constants, the KrF* yield has been resolved into its two constituent components, corresponding to exciplex formation by excited-state reaction of Kr species and ionic recombination. The initial yield of electronically excited krypton atoms that can react with SF6, Kr* + SF6 → KrF* + products, was determined to be G o* = 0.70 ± 0.10, while the corresponding three-body ionic recombination reaction, Kr2 + + SF6 - + Kr → KrF* + products, gave G o + = 1.70 ± 0.10. Analogous studies of the XeF* emission showed that ionic recombination is essentially the only formation pathway, with a calculated initial fluorescence yield for the reaction Xe2 + + SF6 - + Xe → XeF* + products of G o + = 0.26 ± 0.02. The experimental values are compared to the predictions of current theoretical models, and the importance of alternative reaction pathways is discussed.

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“…Similarly, "clumped" populations (A^) are given by N; = AtN¡ where = 1 (20) and At is the Einstein coefficient for the center ' level in the ith group of collected v' contributions. To save time only a limited number of coefficients were calculated, sufficient to generate an analytical expression for AD, Av, = 4.535 X 107 exp(-6.624 X 10-3vO + 1.175 X 107 exp(-6.275 X 10-2 s-1 (21)…”

Section: Results and Analysesmentioning

confidence: 99%

Vibrational relaxation of xenon bromide (XeBr)(B) by argon

Kvaran¹,

Siguroardottir²,

Simons³

1984

J. Phys. Chem.

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vestigate the interaction of H20 with most different types of silica, e.g. the hydrophilic properties of hydroxylated surfaces and hydrophobicity of microporous silica.5,6 This was our primary aim.In course of this work we learned something about fitting quantum chemical interaction energies by analytical potentials, in particular of EPEN/2 type. First of all, it proves advantageous to determine the point charge models independently by fitting molecular multipole moments and electrostatic potentials. Detailed comparison of potential surfaces obtained directly by means of quantum chemical calculations and from QPEN functions revealed a systematic failure of the EPEN/2 functional form which may lead to erroneous minimum structures and may be connected with energy errors of up to 10 kJ/mol.

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Thermochemical and kinetic studies of the xenon halide B and C states in 0.5-5 atmospheres of buffer gas

Cited by 54 publications

References 8 publications

Condensed Phase Laser InducedHarpoon Reactions

Condensed Phase Laser InducedHarpoon Reactions

Absolute Fluorescence Yields from Electron-Irradiated Gases. 2. KrF* and XeF*

Vibrational relaxation of xenon bromide (XeBr)(B) by argon

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