Reply to Johnsen and Biondi’s comment on ‘‘An MCSCF characterization of the HeH+2 2 2A1(2Σ+) polarization state. A radiative mechanism for the production of H+2 from thermal He++H2 collisions’’ [D. G. Hopper, J. Chem. Phys. 7
 3, 3289 (1980)]

Hopper, Darrel G.

doi:10.1063/1.441077

Cited by 18 publications

(15 citation statements)

References 10 publications

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“…It is also known that the CO − 2 ion becomes stable upon bending. It was a long-held belief [16][17][18] [5,21], the 2 Π u resonance accounts for the other two states, then we are led to the puzzle whose resolution is a subject of this Letter. The dominant DEA channel in CO 2 is observed at 8.2 eV.…”

Section: Pacs Numbers: 3480htmentioning

confidence: 98%

“…It is also known that the CO − 2 ion becomes stable upon bending. It was a long-held belief [16][17][18] that one component ( 2 A 1 ) of the 2 Π u resonance, which splits into 2 A 1 and 2 B 1 components upon bending, correlates with the stable anion, but as Sommerfeld et al [19] have shown, this is not the case. The stable anion correlates with a second, lower energy 2 A 1 state which, in linear geometry, becomes a virtual state that dominates electron scattering below 1 eV [20].…”

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confidence: 99%

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Dissociative electron attachment to carbon dioxide via the 8.2 eV Feshbach resonance

Slaughter

Adaniya

Rescigno

et al. 2011

J. Phys. B: At. Mol. Opt. Phys.

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Momentum imaging experiments on dissociative electron attachment (DEA) to CO2 are combined with the results of ab initio calculations to provide a detailed and consistent picture of the dissociation dynamics through the 8.2 eV resonance, which is the major channel for DEA in CO2. The present study resolves several puzzling misconceptions about this system. PACS numbers: 34.80.HtNegative ion resonances are ubiquitous in low-energy electron-molecule collisions and provide an efficient vehicle for the transfer of electronic energy to nuclear motion either through vibrational excitation or dissociative electron attachment, the latter process resulting in the formation of both charged and neutral fragments. Recent dynamical studies [1] have shown that DEA to fundamental polyatomic systems can exhibit complex electronic and nuclear dynamics involving symmetry breaking target deformations [2] and, in some cases, conical intersections [3,4]. Mechanistic studies of the DEA process may give insight into their behavior in the condensed phase [5] and in biological environments [6].Carbon dioxide offers an interesting case in point. The inverse of DEA to CO 2 , i.e. associative detachment, is thought to be important in the catalytic oxidation of CO on a metal surface [7]. In light of its fundamental importance to the understanding of such processes, it is noteworthy that the electronic structure of CO 2 and its metastable anions has not been completely characterized. Most of the extant literature on low-energy electron-CO 2 scattering deals with the short-lived 2 Π u shape resonance near 4 eV, which provides the dominant mechanism for vibrational excitation, while experimental studies of DEA to CO 2 [8][9][10][11][12][13][14] have focused mainly on total cross sections and their dependence on electron energy and ion kinetic energy release. The 2 Π u resonance also feeds the CO( 1 Σ + ) + O − ( 2 P) DEA channel whose thermodynamic threshold lies at 3.99 eV. Scattering calculations [15] show that the 2 Π u resonance becomes sharper and finally electronically bound as the CO bonds are increased along the symmetric stretching coordinate. It is also known that the CO − 2 ion becomes stable upon bending. It was a long-held belief [16][17][18] [5,21], the 2 Π u resonance accounts for the other two states, then we are led to the puzzle whose resolution is a subject of this Letter. The dominant DEA channel in CO 2 is observed at 8.2 eV. Since this energy is less than the 10.0 eV required to produce electronically excited CO* + O − , the 8.2 eV resonance must necessarily result in electronic ground-state products. So how is this possible when, according to current thinking, all three states arising from this asymptote have already been accounted for? The early theoretical work of Claydon et al.[21] and England et al. [22] assigned the 8.2 eV peak to a 2 Σ + g shape resonance. This assignment has since been disputed. Srivastava and Orient [13], having found little or no dependence of the 8.2 eV DEA peak on vibrational excitation of the...

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Section: Pacs Numbers: 3480htmentioning

confidence: 98%

mentioning

confidence: 99%

Dissociative electron attachment to carbon dioxide via the 8.2 eV Feshbach resonance

Slaughter

Adaniya

Rescigno

et al. 2011

J. Phys. B: At. Mol. Opt. Phys.

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“…Figure 1 displays a number of the potential energy curves used in the present work to account for the interactions between these species. Additional potential energy curves (not displayed) used in these calculations were p-H (Teller 1930), p-He + (Kolos & Peek 1976), He-H þ 2 (Hopper 1980), and He-H 2 (Shafer & Gordon 1973). We consider static atom-atom interactions between C, N, O, and Ne but do not consider any molecular interactions.…”

Section: Factorization Of Cluster Coefficients and Effective Potentialsmentioning

confidence: 99%

Updated and Expanded OPAL Equation‐of‐State Tables: Implications for Helioseismology

Rogers

Nayfonov

2002

ApJ

898

777

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We are in the process of updating and extending the OPAL equation-of-state (EOS) and opacity data to include low-mass stars. The EOS part of that effort now is complete, and the results are described herein. The new data cover main-sequence stars having mass !0.1 M . As a result of the more extreme matter conditions encountered with low-mass stars, we have added new physics. The electrons are now treated as relativistic, and we have improved our treatment of molecules. We also consider the implications of the new results for helioseismology.

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“…iJ are given from the experiment, Eq. (1) yields Rm. Application of this relation for the elastic case with spherically symmetric potentials may appear feasable, especially since it is known that the inelastic cross section in the angular range considered here is smaller than the elastic one by approximately a factor of 10. Actually, however, it is found 11 ,12 that this leads to an error of the order of 2~ for Rm (in d"ontrast to the rainbow angle and the related ~).…”

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confidence: 99%

“…Letters to the Editor (1) where /J. is the reduced mass, g the relative velocity of the collision, and Co a constant quite independent of the shape of the potential.…”

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confidence: 99%

Comment on ‘‘An MCSCF characterization of the HeH2+ 2 2A1(2Σ+) polarization state. A radiative mechanism for the production of H+2 from thermal He++H2 collisions’’

Johnsen

Biondi

1981

The Journal of Chemical Physics

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Reply to Johnsen and Biondi’s comment on ‘‘An MCSCF characterization of the HeH+2 2 2A1(2Σ+) polarization state. A radiative mechanism for the production of H+2 from thermal He++H2 collisions’’ [D. G. Hopper, J. Chem. Phys. 7 3, 3289 (1980)]

Abstract: The authors makes a discussion of the radiative mechanism for the production of H2+ from thermal He++H2 collisions.(AIP)

Cited by 18 publications

References 10 publications

Dissociative electron attachment to carbon dioxide via the 8.2 eV Feshbach resonance

Dissociative electron attachment to carbon dioxide via the 8.2 eV Feshbach resonance

Updated and Expanded OPAL Equation‐of‐State Tables: Implications for Helioseismology

Comment on ‘‘An MCSCF characterization of the HeH2+ 2 2A1(2Σ+) polarization state. A radiative mechanism for the production of H+2 from thermal He++H2 collisions’’

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