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Burde, D. H.; McFarlane, R. A.; Wiesenfeld, J. R.

doi:10.1103/physreva.10.1917

Cited by 41 publications

(3 citation statements)

References 10 publications

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“…4 The one-atom cage effect Saenger et al (1981) showed evidence for recombination of I 2 excited above the B state dissociation limit when I 2 was complexed with one or more atoms or molecules, whereas uncomplexed I 2 exhibits 100% dissociation (Burde et al, 1974). Valentini and Cross (1982) reported the observation of the "one-atom cage effect" by recording the dispersed fluorescence of recombined I 2 (B) produced upon excitation of the Ar ...…”

Section: Ab Initio Calculationsmentioning

confidence: 99%

Ar ··· I 2 : A model system for complex dynamics

Buchachenko

Halberstadt

Lepetit

et al. 2003

International Reviews in Physical Chemistry

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We review spectroscopic and photodissociation dynamical studies in the region of the B ← X transition of the Ar ... I 2 Van der Waals complex, both below and above the dissociation limit of the B(3 Π 0 + u) state. This very simple system constitutes a prototype for a wide range of molecular processes: vibrational predissociation involving intramolecular vibrational relaxation, electronic predissociation, cage effect... Each of these processes has been or still is the subject of differing interpretations: intramolecular vibrational relaxation involved in the vibrational predissociation of this system can be in the sparse or statistical regime, vibrational and electronic predissociation are in competition, and a direct, ballistic interpretation of the cage effect as well as a nonadiabatic one have been proposed. The study of the dependence of these dynamical processes on the relative orientation of the two partners of the complex (stereodynamics) is made possible by the coexistence of two stable Ar ... I 2 (X) isomers. Experimental as well as theoretical results are reviewed. Experiments range from frequency-resolved to time-dependent studies, including the determination of final state distributions. Theoretical studies involve potential energy surface calculations for several electronic states of the complex and their couplings, and adiabatic as well as nonadiabatic dynamical simulations.

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Section: Ab Initio Calculationsmentioning

confidence: 99%

Ar ··· I 2 : A model system for complex dynamics

Buchachenko

Halberstadt

Lepetit

et al. 2003

International Reviews in Physical Chemistry

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“…Previously, Tellinghuisen had determined the absorption cross sections for I 2 in the visible to near-IR spectral region from the ground X 1 Σ to several excited states in molecular iodine. Burde and McFarlane made similar measurements and concluded that absorption on the I 2 (B−X) system could be used to produce excited, 2 P 1/2 atoms. Davis used these results to produce an I atom laser from dye-laser excitation of molecular iodine in the 493−499-nm region.…”

Section: Methodsmentioning

confidence: 79%

Measurements of Pressure-Broadening Coefficients for the F‘ = 3 ← F‘ ‘ = 4 Hyperfine Line of the ²P_1/2 ← ²P_3/2 Transition in Atomic Iodine

Davis¹,

Mulhall²,

Bachman³

et al. 2002

J. Phys. Chem. A

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We describe a series of measurements of pressure-broadening coefficients for the F′ ) 3 r F′′ ) 4 line of the 2 P 1/2 r 2 P 3/2 transition in atomic iodine. This is the optical transition of the chemically pumped atomic iodine laser (COIL), and our results are relevant to a more complete understanding of this important class of high-power lasers. The measurements were made in sealed cells using an argon ion laser to photodissociate molecular iodine and a tunable diode laser to probe directly the atomic transition. We measured broadening coefficients for three bath gases: He, N 2 , and O 2 . Full absorption line shapes were recorded as a function of the added bath gas pressure and the following values were obtained at room temperature: (∆ν/∆P He ) T)296K ) 3.2 ( 0.3 MHz/Torr, (∆ν/∆P N2 ) T)296K ) 5.5 ( 0.6 MHz/Torr, and (∆ν/∆P O2 ) T)296K ) 5.0 ( 0.5 MHz/ Torr; where ∆ν is the full width at half-maximum. We also measured the temperature dependencies of the He and O 2 broadening coefficients over the range 296 K < T < 775 K. We quote the temperature-dependent values as (∆ν/∆P He ) T ) (3.2 ( 0.3) × (296/T) 0.36 and (∆ν/∆P O2 ) T ) (5.5 ( 0.6) × (296/T) 0.70 . Comparisons to previous measurements are also discussed. † Part of the special issue "Donald Setser Festschrift".

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“…To better understand its mechanism and to further optimize the laser, the kinetics of R1 (and its inverse process) has been investigated experimentally at room temperature − and more recently at the laser operating temperature of 150 K. , Interestingly, the rate coefficient ( k 1 ) is large (∼10 –10 cm 3 s –1 ) and has a slightly positive temperature dependence between 150 and 300 K. These experimental results have stimulated kinetic modeling, but the ultimate understanding requires microscopic dynamics on ab initio potential energy surfaces (PESs). , So far, however, a quantitative characterization of the energy transfer kinetics and dynamics from first principles has yet to be achieved.…”

mentioning

confidence: 99%

Nonadiabatic Electronic Energy Transfer in the Chemical Oxygen–Iodine Laser: Powered by Derivative Coupling or Spin–Orbit Coupling?

Chen

et al. 2020

J. Phys. Chem. Lett.

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Derivative couplings near a conical intersection and spin–orbit couplings between different spin states are known to facilitate nonadiabatic transitions in molecular systems. Here, we investigate a prototypical electronic energy transfer process, I(2 P 3/2) + O2(a 1Δ g ) → I(2 P 1/2) + O2(X 3Σ g –), which is of great importance for the chemical oxygen–iodine laser. To understand the nonadiabatic dynamics, this multistate process is investigated in full dimensionality with quantum wave packets using diabatic potential energy surfaces coupled by both derivative and spin–orbit couplings, all determined from first principles. A near quantitative agreement with structural, energetic, and kinetic measurements is achieved. Detailed analyses suggest that the nonadiabatic dynamics is largely controlled by derivative coupling near conical intersections, which leads to a small effective barrier and hence a slightly positive temperature dependence of the rate coefficient. The new results should extend our understanding of energy transfer, provide a quantitative basis for numerical simulations of the chemical oxygen–iodine laser, and have important implications in other electronic energy transfer processes.

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Quantum efficiencies for the production of electronically excited iodine atomsI(5p5P12

Cited by 41 publications

References 10 publications

Ar ··· I 2 : A model system for complex dynamics

Ar ··· I 2 : A model system for complex dynamics

Measurements of Pressure-Broadening Coefficients for the F‘ = 3 ← F‘ ‘ = 4 Hyperfine Line of the ²P_1/2 ← ²P_3/2 Transition in Atomic Iodine

Nonadiabatic Electronic Energy Transfer in the Chemical Oxygen–Iodine Laser: Powered by Derivative Coupling or Spin–Orbit Coupling?

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Quantum efficiencies for the production of electronically excited iodine atomsI(5p5P12

Cited by 41 publications

References 10 publications

Ar ··· I 2 : A model system for complex dynamics

Ar ··· I 2 : A model system for complex dynamics

Measurements of Pressure-Broadening Coefficients for the F‘ = 3 ← F‘ ‘ = 4 Hyperfine Line of the 2P1/2 ← 2P3/2 Transition in Atomic Iodine

Nonadiabatic Electronic Energy Transfer in the Chemical Oxygen–Iodine Laser: Powered by Derivative Coupling or Spin–Orbit Coupling?

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Measurements of Pressure-Broadening Coefficients for the F‘ = 3 ← F‘ ‘ = 4 Hyperfine Line of the ²P_1/2 ← ²P_3/2 Transition in Atomic Iodine