Low-energy electron scattering from the X state of the OH molecule

Chen, Xiushan; Morgan, L A

doi:10.1088/0953-4075/30/16/009

Cited by 11 publications

(15 citation statements)

References 15 publications

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“…The threshold energy of the processes was taken from refs. [8,12,13]. The differential cross-section for the OH ionization was calculated on the basis of the BEB model [19] with due account of the atomic data (B, U, N) [20].…”

Section: Resultsmentioning

confidence: 99%

“…3 along with the integrated data on the cross-sections for the following processes: elastic collisions (the data of ref. [11] were interpolated to the region of low (<1 eV) and "high" (500 eV) electron energies); vibrational level excitations, v = 1 [12]; and also the total cross-section for electronic level excitation (the present work).…”

Section: Total Ionization Cross-sectionmentioning

confidence: 99%

“…W(E), eV The OH ionization cost within the framework of the model, which includes the electron energy distribution function (EEDF) was calculated by formula (12). In our calculations we have used the process cross-sections (see Figs.…”

Section: E Evmentioning

confidence: 99%

“…In our calculations we have used the process cross-sections (see Figs. 2 and 3) and the threshold energy values [8,12,13] similar to those used for the first model. The EEDF was assumed to be the Maxwellian distribution function.…”

Section: E Evmentioning

confidence: 99%

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Calculation and comparative analysis of the mean energy expended per ion pair by electrons in water and hydroxyl radical

Kovtun¹

2017

energetika

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Researches of physical and chemical processes occurring in water during the interaction with particles (electrons, ions, photons, etc.) are interesting for a wide range of physical and applied problems in astrophysics, radiation physics, chemistry, medicine and biology, plasma physics, and other branches of science and technology. One of the directions, which invokes a considerable interest in low-temperature plasma physics and its application technologies, includes researches of electric discharges in the liquid and above its surface. While developing any technology, in which electric discharges in a liquid and above its surface will be used, the determination of the main channels of energy expenditure and, accordingly, the total amount of energy expenditure comprises an important task. One of the main channels of energy expenditures are those for ionization by an electron impact, or the so-called ionization cost W. The cost of ionization by an electron impact is usually assumed to be a certain mean value of energy spent by an electron for the formation of an ion-electron pair in the substance.The paper presents the results of calculations and comparison of the cost of ionization of water and hydroxyl radical by an electron impact on the basis of two models. The calculations based on the model with the passage of a monoenergetic electron flow (beam) with an energy of 14-1000 eV through the medium show that for an electron energy of 1000 eV, the ionization cost for the water molecule is W = 25.26 eV and W = 21.65 eV for the hydroxyl radical. The results of calculations show that the ionization cost for the model taking into account the electron energy distribution function in a plasma with T e = 100 eV, this value is W = 16.85 eV for the water molecule and W = 14.5 eV for the hydroxyl radical.

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Section: Resultsmentioning

confidence: 99%

Section: Total Ionization Cross-sectionmentioning

confidence: 99%

Section: E Evmentioning

confidence: 99%

Section: E Evmentioning

confidence: 99%

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Calculation and comparative analysis of the mean energy expended per ion pair by electrons in water and hydroxyl radical

Kovtun¹

2017

energetika

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“…Recent studies of rotational excitation include H2 (Danby et al 1996), HeH+ and N0+ (Rabadan et al 1998), CO (Randell et al 1996), 0 2 (Mukherjee & Ghosh 1996), H 2 0 (Gianturco et al 1998a), 0 3 (Gianturco et al 1998b), C 0 2 (Gianturco & Stoecklin 1997), and S 0 2 ). Vibrational excitation due to electron collisions has been investigated for H 2 (Lee et al 1996a;Kazanskii 1996;Mazevet et al 1998), HD (Kazanskii 1996), N 2 (Grimm-Bosbach et al 1996;Sweeney & Shyn 1997), OH (Chen & Morgan 1997), CO , and CH 4 (Bundschu et al 1997) while studies of electronic excitation of H 2 (Celiberto et al 1996), CO (Lee et al 1996b;Zubek et al 1997;Zetner et al 1998), CO, C0 2 , and S0 2 (Fomunung et al 1996), N 2 (Gillan et al 1996), NO (Mojarrabi et al 1996), 0 3 (Sweeney & Shyn 1996), H 2 0 (Morgan 1998), H 2 S (Michelin et al 1997), and CH4 and SiH4 (Bettega et al 1998) have been performed.…”

Section: Electron Impact Of Moleculesmentioning

confidence: 99%

Commission 14: Atomic and Molecular Data: (Donnees Atomiques et Moleculaires)

Rostas¹,

Smith²,

Berrington³

et al. 2000

Trans. Int. Astron. Union

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In recognition of its special interdisciplinary character, IAU Commission 14 is linked directly to the Executive Committee. The Commission’s role is to inform the astronomical community of new developments in the diverse fields of research which involve atoms and molecules. Conversely it endeavors to sensitize the research community active in those fields to the specific needs of astronomy, especially concerning basic data and modeling tools. More generally, Commission 14 tries to foster long term relations and collaborations between the two communities and, when necessary, to alert funding authorities to the specific needs of ground and space based astronomy for specific atomic and molecular data. This report is one of the main contributions of Commission 14 to the information of the astronomical community. Several meetings concerned, at least in part, with the need and availability of atomic and molecular data for astrophysics were also sponsored or co-sponsored. In the last triennium, Commission 14 cosponsored IAU Symposium 194 “Astrochemistry: From Molecular Cloud to Planetary Systems” held in Sogwipo (Korea) from Aug. 23 to 27, 1999 and organized by Commission 34. A Joint Discussion: JD1 on “Atomic and Molecular Data for Astrophysics, New Developments, Case Studies and Future Needs” has been planned for the XXIVth IAU General Assembly in Manchester (Aug. 7-19, 2000) and cosponsored by Commissions 15, 16, 29, 34, 36, 40 and 44. Several other Joint Discussions to be held at the Manchester General Assembly are co-sponsored by this commission.

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Dynamics of water clusters upon UV‐excitation leading to ionization: Nonempirical study

Novakovskaya

2007

Int J of Quantum Chemistry

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ABSTRACT:Nonempirical direct molecular dynamics of neutral and cationic water clusters involving four to six molecules is studied to shed light on the character of the ionization of water clusters. Potential energy and forces are calculated in the second-order of the Møller-Plesset perturbation theory with a 6 -31ϩϩG(1d, 1p) basis set. Upon vertical ionization of a water cluster, H 3 O ϩ and OH fragments appear. The process needs no less than 40 fs, and in some cases, up to 100 or 150 fs. The resulting configuration of the cluster (neglecting its generally larger volume) is close to that obtained in the geometry optimization run. Vibrational excitation of a neutral cluster with a total energy about half its adiabatic ionization potential may promote the appearance of structures similar to that of the stable cation at certain moments in time. In particular, a configuration in which only one water molecule separates H 3 O ϩ and OH Ϫ fragments forms much faster than upon vertical electron detachment from a stable neutral cluster, in nearly 18 fs. Such structure reorganization is noticeably impeded by the rotational-vibrational excitation of the whole cluster, especially when hydrogen bonds are substantially distorted. The effect of distorting motions becomes very pronounced after 20 fs.

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Low-energy electron scattering from the X state of the OH molecule

Cited by 11 publications

References 15 publications

Calculation and comparative analysis of the mean energy expended per ion pair by electrons in water and hydroxyl radical

Calculation and comparative analysis of the mean energy expended per ion pair by electrons in water and hydroxyl radical

Commission 14: Atomic and Molecular Data: (Donnees Atomiques et Moleculaires)

Dynamics of water clusters upon UV‐excitation leading to ionization: Nonempirical study

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