A Critical Test of Many-Body Theory: The Photoionization Cross Section of Cl as an Example of an Open-Shell Atom

Samson, James A. R.; Shefer, Y.; Angel, G.

doi:10.1103/physrevlett.56.2020

Cited by 51 publications

(22 citation statements)

References 15 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This is perhaps caused by the use of approximate wave functions and limited number of configurations to represent the 3s3p 'P' states which lie in this energy region. In this energy region the unrelaxed correlated MBPT calculation of Brown, Carter, and Kelly [3] is in better agreement with the measurement of Samson, Shefer, and Angel [12]. The measured values are larger than all the calculations for energies close to the 'S threshold.…”

Section: Resultssupporting

confidence: 78%

“…The present calculations are in good agreement with the experiment above 35 eV. However, the present results are lower than the experiment of Samson, Shefer, and Angel [12] for photon energies below 25 eV and between 25 and 35 eV the present calculations lie higher than the measurement. This is perhaps caused by the use of approximate wave functions and limited number of configurations to represent the 3s3p 'P' states which lie in this energy region.…”

Section: Resultssupporting

confidence: 56%

“…We also include in Fig. 9 [12]. The present five-state results are higher than the three-state results in the low energy (E (27 eV), become smaller up to about 45 eV and then above 45 eV the two sets of calculations give identical results.…”

Section: Resultssupporting

confidence: 44%

“…For photon energies above the 'S threshold, the present five-state results compare less well with the experimental results of Samson, Shefer, and Angel [12] than the calculation of Brown, Carter, and Kelly [3]. Our primary concern in this work has been to present improved description of resonances below the 'S threshold.…”

Section: Discussioncontrasting

confidence: 48%

See 3 more Smart Citations

Autoionization resonances in the photoionization of the 3s23p5<

Tayal

1993

Phys. Rev. A

View full text Add to dashboard Cite

Photoionization cross sections for the 3p and 3s subshells of 3s'3p' 'P ground state of atomic chlorine are calculated in the photon energy range from the Cl+ 3p 'P ionization threshold to 65 eV using the R-matrix method. The initial Cl (3s 3p' P') bound state, the final Cl+ plus photoelectron ( S, P, D) states, and the residual Cl+ (3p P, 'D, 'S, 3s 3p ' P, 'P ) states are represented by extensive configuration-interaction wave functions. The photoionization cross sections are dominated by Rydberg series of resonances in the threshold region. The present results are compared with the available experimental measurements and other calculations. PACS number(s): 32.80.Fb, 32.80.0z

show abstract

Section: Resultssupporting

confidence: 78%

Section: Resultssupporting

confidence: 56%

Section: Resultssupporting

confidence: 44%

Section: Discussioncontrasting

confidence: 48%

See 2 more Smart Citations

Autoionization resonances in the photoionization of the 3s23p5<

Tayal

1993

Phys. Rev. A

View full text Add to dashboard Cite

show abstract

“…Accounting for the appropriate Jacobian factors and normalizing for ALS photoflux gave a [Cl]/[HCl] branching ratio of 6.5, given that the photoionization cross sections of Cl and HCl are nearly equal. 18,19 The determination is qualitative, as it could not account for the fact that other data we have taken show that the HCl + signal is not linear in ALS power. 20 We looked for evidence of C-C bond fission by examining the TOF spectrum for m/e ) 63 (COCl + ) at a 15°source angle and 15.0 eV ionization energy.…”

Section: Results and Analysismentioning

confidence: 99%

Competing Pathways in the 248 nm Photodissociation of Propionyl Chloride and the Barrier to Dissociation of the Propionyl Radical

et al. 2004

View full text Add to dashboard Cite

Photofragment translational spectroscopy was used to study the photodissociation of propionyl chloride at 248 nm. The crossed laser-molecular beam experiment with VUV photoionization showed two primary dissociation channels, C-Cl bond fission and HCl elimination. Following cleavage of the C-Cl bond, unimolecular dissociation of the propionyl radical produced CH 3 CH 2 and CO. The energy barrier to the CH 3 -CH 2 CO f CH 3 CH 2 + CO reaction was estimated to be in the range of 16.3 ( 1.5 kcal/mol by determining the internal energy distribution of surviving propionyl radicals. No other secondary dissociation channels were observed for the propionyl radical. The HCl elimination channel, previously reported only for the condensed phase of propionyl chloride, was observed as the minor primary dissociation channel in the gas phase. The cofragment to the HCl elimination, CH 3 CHCO or CH 2 CH 2 CO, underwent secondary dissociation to produce CO and CH 2 CH 2 with a significant amount of energy partitioned into translational motion.

show abstract

Application of spectral intensities through a model potential approach to the prediction of photodissociation rate constants of CFC molecules in the ionosphere

Martı́n

Mayor

Velasco

2004

Int J of Quantum Chemistry

View full text Add to dashboard Cite

Absorption of high-frequency radiation by chlorofluorocarbon (CFC) compounds in the ionosphere leads to their photoionization and photodissociation. Rydberg states are known to play an essential role in the initiation of photochemical processes. The photoabsorption intensities in both bound and continuous spectral regions, through all the allowed Rydberg channels, of two Freon molecules, have been first calculated. Then, through the use of the intensity data, photolysis rate constants corresponding to dissociation pathways in zones E and D of the ionosphere have been determined. An extension of the molecular quantum defect orbital approach has been used to supply these rate constants for the first time. Neither previous measurements nor theoretical calculations on these properties have, to our knowledge, been reported.

show abstract

A Critical Test of Many-Body Theory: The Photoionization Cross Section of Cl as an Example of an Open-Shell Atom

Cited by 51 publications

References 15 publications

Autoionization resonances in the photoionization of the 3s23p5<

Autoionization resonances in the photoionization of the 3s23p5<

Competing Pathways in the 248 nm Photodissociation of Propionyl Chloride and the Barrier to Dissociation of the Propionyl Radical

Application of spectral intensities through a model potential approach to the prediction of photodissociation rate constants of CFC molecules in the ionosphere

Contact Info

Product

Resources

About