ClF<i>x</i>–H2 chemical lasers (<i>x</i>=1,3,5): vibration–rotation emission by HF from states with high rotational excitation

Krogh, Ole; Pimentel, George C.

doi:10.1063/1.435265

Cited by 31 publications

(3 citation statements)

References 23 publications

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“…The chemiluminescence results can be compared to the chemical laser study of the + GIF reaction. 11 The rate constants for reaction of H with Cl2, F2, GIF, and IC1 are reported in the following paper.12 f Faculty of Pharmaceutical Sciences, Okayma, Japan. 0022-3654/79/2083-1000$01.00/0 were used to convert the HC1 and HF rotational line intensities HF Einstein coefficients are presented in the Appendix.…”

Section: Introductionmentioning

confidence: 99%

Infrared chemiluminescence studies of the hydrogen + chlorine fluoride reaction. Energy disposal and branching ratios

Tamagake¹,

Setser²

1979

J. Phys. Chem.

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Publication costs assisted by the National Science FoundationInfrared chemiluminescence under arrested relaxation conditions has been used to study the HF and HCl formation channels of the H + C1F reaction at 300 K. From the relative infrared emission intensities the ratio of channels was determined as 4.4 in favor of HC1, the less exoergic channel. The energy disposal is ( / " ) H a = 0.42, (~R ) H C I = 0.14, (~T ) H c~ = 0.44, and (f\-)HF = 0.57, (~R ) H F = 0.10, (fT)HF = 0.33. The rotational distribution for the HF channel is much broader than for the HC1 channel, which is a consequence of two pathways for HF formation. The low J component is attributed to direct reaction and the high J component to migratory collisions in which the H that intially attacked the C1 end of the molecule migrates and forms HF. Since -57% of the HF distribution can be assigned to a high J component, only about one-half of the HF is formed directly.The migratory aspect of the H + ClF reaction is less important than for the H + IC1 or BrCl reactions recently studied by Polanyi and co-workers. The energy disposal and inferred reaction dynamics for H + ClF are compared to that for H + Clz and H + Fz reactions. Using a numerical procedure, improved HC1 and HF transition probabilities were calculated and these values were used to convert the HC1 and HF rotational line intensities to relative populations. These new HCl and HF Einstein coefficients are presented in the Appendix.

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Section: Introductionmentioning

confidence: 99%

Infrared chemiluminescence studies of the hydrogen + chlorine fluoride reaction. Energy disposal and branching ratios

Tamagake¹,

Setser²

1979

J. Phys. Chem.

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“…Recently, strong rotational enhancement has been described for the F + HCl reaction [150,154]. The chemiluminescence from HF produced in chemical lasers, i. e. from reactions of ClF with hydrogen, has been observed [155]. However, so far no spectra of the stationary points on the PES have been obtained for the free molecular complexes.…”

Section: A Complexes Containing Halogen Atomsmentioning

confidence: 99%

Spectroscopy of free radicals and radical containing entrance-channel complexes in superfluid helium nanodroplets

Küpper¹,

Merritt²

2007

International Reviews in Physical Chemistry

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The spectroscopy of free radicals and radical containing entrance-channel complexes embedded in superfluid helium nano-droplets is reviewed. The collection of dopants inside individual droplets in the beam represents a micro-canonical ensemble, and as such each droplet may be considered an isolated cryo-reactor. The unique properties of the droplets, namely their low temperature (0.4 K) and fast cooling rates (∼ 10 16 K s −1 ) provides novel opportunities for the formation and high-resolution studies of molecular complexes containing one or more free radicals. The production methods of radicals are discussed in light of their applicability for embedding the radicals in helium droplets. The spectroscopic studies performed to date on molecular radicals and on entrance / exitchannel complexes of radicals with stable molecules are detailed. The observed complexes provide new information on the potential energy surfaces of several fundamental chemical reactions and on the intermolecular interactions present in open-shell systems. Prospects of further experiments of radicals embedded in helium droplets are discussed, especially the possibilities to prepare and study high-energy structures and their controlled manipulation, as well as the possibility of fundamental physics experiments.

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“…The spectroscopic studies of ClF in cryogenic solutions are useful in molecular dynamics [10]. The flash photolysis-initiated ClF x (x = 1, 3, 5) chemical lasers produce vibrational-rotation laser emission [11,12]. Further, the ClF systems were also identified to produce pure rotational laser emission [13] and display high gain and extended durations, which make them potential chemical lasers [14].…”

Section: Introductionmentioning

confidence: 99%

Elastic and Inelastic Cross Sections for Low-Energy Electron Collisions with ClF Molecule Using the R-Matrix Method

Bassi

Bharadvaja

Baluja

2022

Atoms

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The ClF molecule belongs to an interhalogen family and is important in laser physics and condensed phase molecular dynamics. The elastic and excitation scattering cross sections are obtained in a fixed nuclei approximation using the UKRmol+ codes based on R-matrix formalism. The scattering calculations were performed in the static-exchange (SE), static-exchange-plus-polarisation (SEP), and close-coupling (CC) models. Three CC models with different target states were employed, namely, the 1-state, 5-states, and 12-states. In the CC model, the target states were represented by configuration interaction (CI) wavefunctions. A good agreement of dipole and quadrupole moments of the ground state was obtained with the experimental values, which indicates a good representation of the target modelling. The study predicted the existence of a shape resonance in the SE, SEP, and 5-states CC models. This resonance vanished in the 12-states CC model. The excitation cross sections from ground to the lowest two excited states were also reported. The elastic differential and momentum transfer cross sections were obtained in the 12-states CC models. The contribution of long-range interactions to elastic scattering was included via Born closure approach. The quantities like collision frequencies and rate coefficients were also presented over a wide range of electron temperatures. The ionization cross sections were computed using the binary-encounter-Bethe (BEB) model. The results were reported in C2v point group representation.

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ClFx–H2 chemical lasers (x=1,3,5): vibration–rotation emission by HF from states with high rotational excitation

Cited by 31 publications

References 23 publications

Infrared chemiluminescence studies of the hydrogen + chlorine fluoride reaction. Energy disposal and branching ratios

Infrared chemiluminescence studies of the hydrogen + chlorine fluoride reaction. Energy disposal and branching ratios

Spectroscopy of free radicals and radical containing entrance-channel complexes in superfluid helium nanodroplets

Elastic and Inelastic Cross Sections for Low-Energy Electron Collisions with ClF Molecule Using the R-Matrix Method

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