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Title: Rotational excitation of the interstellar NH 2 radical by H 2

Authors:
ORCiD logo [1]; ORCiD logo [1];  [2];  [2];  [3]; ORCiD logo [3]
  1. LOMC - UMR 6294, CNRS-Université du Havre, 25 rue Philippe Lebon, BP 1123, 76 063 Le Havre cedex, France
  2. UJF-Grenoble 1/CNRS, Institut de Planétologie et d’Astrophysique de Grenoble (IPAG) UMR 5274, Grenoble F-38041, France
  3. Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1361765
Grant/Contract Number:
SC0015997
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 146; Journal Issue: 6; Related Information: CHORUS Timestamp: 2018-02-14 19:57:19; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Bouhafs, Nezha, Lique, François, Faure, Alexandre, Bacmann, Aurore, Li, Jun, and Guo, Hua. Rotational excitation of the interstellar NH 2 radical by H 2. United States: N. p., 2017. Web. doi:10.1063/1.4975324.
Bouhafs, Nezha, Lique, François, Faure, Alexandre, Bacmann, Aurore, Li, Jun, & Guo, Hua. Rotational excitation of the interstellar NH 2 radical by H 2. United States. doi:10.1063/1.4975324.
Bouhafs, Nezha, Lique, François, Faure, Alexandre, Bacmann, Aurore, Li, Jun, and Guo, Hua. Tue . "Rotational excitation of the interstellar NH 2 radical by H 2". United States. doi:10.1063/1.4975324.
@article{osti_1361765,
title = {Rotational excitation of the interstellar NH 2 radical by H 2},
author = {Bouhafs, Nezha and Lique, François and Faure, Alexandre and Bacmann, Aurore and Li, Jun and Guo, Hua},
abstractNote = {},
doi = {10.1063/1.4975324},
journal = {Journal of Chemical Physics},
number = 6,
volume = 146,
place = {United States},
year = {Tue Feb 14 00:00:00 EST 2017},
month = {Tue Feb 14 00:00:00 EST 2017}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1063/1.4975324

Citation Metrics:
Cited by: 3works
Citation information provided by
Web of Science

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  • Classical, rigid rotor rotational excitation probabilities have been calculated for a symmetric top, NH/sub 3/, and an asymmetric rotor, H/sub 2/O, undergoing high energy collisions with atomic oxygen. A Monte Carlo procedure was utilized to determine both the probability distributions for total translational to rotational energy transfer and the resulting distributions of rotational angular momenta. Intermolecular potentials constructed from interpenetrating hard spheres were employed to obtain results applicable to high energy (> or =1 eV) atom/rigid rotor collisions. (AIP)
  • The rate constant for the reactions NH{sub 2}({sub x}{sup 2}B{sub 1}) + NH(X{sup 3}{Sigma}{sup -}) and NH{sub 2}({sub x}{sup 2}B{sub 1}) + H({sup 2}S) were measured over a pressure range from 2 to 10 Torr in CF{sub 4}, or Ar gases at 293 {+-} 2 K. The radicals were produced by the 193 nm photolysis of NH{sub 3} dilute in the carrier gas. Both radicals were monitored simultaneously following the photolysis laser pulse using high-resolution time-resolved absorption spectroscopy. The NH{sub 2} radical was monitored using the {sup 1}2{sub 21} {l_arrow} {sup 1}3{sub 31} rotational transition of the (0,7,0){sub A}{sup 2}A{submore » 1} {l_arrow} (0,0,0) {sub x}{sup 2}B{sub 1} vibronic band near 675 nm, and the NH radical was monitored using the {sup 1}R{sub 3}(4) rotational transition on the 1?0 vibrational transition near 3084 nm. The data was analyzed using model simulations of the NH{sub 2} and NH temporal concentration profiles. The rate constants for the NH{sub 2} + NH and NH{sub 2} + H reactions were found to be (9.6 {+-} 3.2) x 10{sup -11} and (7.7 {+-} 14) x 10{sup -15} cm{sup 3} molecule{sup -1} s{sup -1}, respectively, where the uncertainty includes an estimate of both systematic and random errors. The measurements were independent of the nature of the diluents, CF{sub 4} or Ar, and total pressure.« less
  • Cross sections for rotational excitation of small molecules by low-energy collisions with helium and hydrogen can currently be obtained via accurate numerical solution of the quantum equations that describe both intermolecular forces and collision dynamics. The relevant methods are discussed in some detail and applied to compute excitation rates for carbon monoxide. These calculations also predict collision-induced spectral pressure broadening constants which are in excellent agreement with available experimental data. (AIP)
  • Single crystals of (NH{sub 3}(CH{sub 2}){sub 3}NH{sub 3})(H{sub 3}O){sub 2}(UO{sub 2}){sub 3}(MoO{sub 4}){sub 5} (1), C(NH{sub 2}){sub 3}(UO{sub 2})(OH)(MoO{sub 4}) (2), (C{sub 4}H{sub 12}N{sub 2})(UO{sub 2})(MoO{sub 4}){sub 2} (3) and (C{sub 5}H{sub 14}N{sub 2})(UO{sub 2})(MoO{sub 4}){sub 2}{center_dot}H{sub 2}O (4) have been synthesized hydrothermally by using UO{sub 2}(CH{sub 3}COO){sub 2}{center_dot}2H{sub 2}O, (NH{sub 4}){sub 2}Mo{sub 2}O{sub 7}, HF{sub (aq)}, H{sub 2}O, and the respective organic template. The materials have layered structures with anionic uranium molybdate sheets separated by cationic organic templates. Compound 1 has an unprecedented uranium molybdate topology, whereas 2 is structurally related to johannite, Cu[(UO{sub 2}){sub 2}(SO{sub 4}){sub 2}(OH){sub 2}](H{submore » 2}O){sub 8}, and 3 and f4 have layer topologies similar to zippiete, K{sub 2}[UO{sub 2}(MoO{sub 4}){sub 2}]. Thermogravimetric measurements indicate all that four materials, after template loss, form a crystalline mixture of UO{sub 2}MoO{sub 4} and MoO{sub 3}. Crystal data: (NH{sub 3}(CH{sub 2}){sub 3}(H{sub 3}O){sub 2}(UO{sub 2}){sub 3}(MoO{sub 4}){sub 5}, orthorhombic, space group Pbnm (No. 62), with a = 10.465(1) {angstrom}, b = 16.395(1) {angstrom}, c = 20.241(1) {angstrom}, and Z = 4; C(NH{sub 2}){sub 3}(UO{sub 2})(OH)MoO{sub 4}), monoclinic, space group P2{sub 1}/c (No. 14), with a = 15.411(1) {angstrom}, b = 7.086(1) {angstrom}, c = 18.108(1) {angstrom}, {beta} = 113.125(2){degree}, and Z = 4; (C{sub 4}H{sub 12}N{sub 2})(UO{sub 2})(MoO{sub 4}){sub 2}, triclinic, space group P{bar 1} (No. 2), with a = 7.096(1) {angstrom}, b = 8.388(1) {angstrom}, c = 11.634(1) {angstrom}, {alpha} = 97.008(3){degree}, {beta} = 96.454(2){degree}, {gamma} = 110.456(3){degree}, and Z = 2; (C{sub 5}H{sub 14}N{sub 2})(UO{sub 2})(MoO{sub 4}){sub 2}{center_dot}H{sub 2}O, orthorhombic, space group Pbca (No. 61), with a = 12.697(1) {angstrom}, b = 13.247(1) {angstrom}, c = 17.793(1) {angstrom}, and Z = 8.« less
  • Using tris(2-ethylamino)amine (tren) as a template, three new fluorides are obtained by solvothermal synthesis: [(C{sub 2}H{sub 4}NH{sub 3}){sub 3}NH].[Zr{sub 3}F{sub 16}(H{sub 2}O)] (I), [(C{sub 2}H{sub 4}NH{sub 3}){sub 3}N]{sub 2}.[ZrF{sub 6}].[Zr{sub 2}F{sub 12}] (II) and [(C{sub 2}H{sub 4}NH{sub 3}){sub 3}N].[TaF{sub 7}].F (III). The structure determinations are performed by single crystal technique. The structure of I consists of infinite spiral-like [Zr{sub 3}F{sub 16}(H{sub 2}O)]{sup 4-} chains connected by tetraprotonated [trenH{sub 4}]{sup 4+} cations which possess a plane configuration. In II, isolated [ZrF{sub 6}] octahedra or [Zr{sub 2}F{sub 12}] dimers are linked to organic cations by a tridimensional hydrogen bond network. In III,more » [TaF{sub 7}]{sup 2-} monocapped trigonal prisms and 'isolated' fluoride ions are connected by hydrogen bonds to template moieties. In II and III, every organic moiety is triprotonated [trenH{sub 3}]{sup 3+} with a 'spider' configuration. In the tantalum phase, the hydrogen bond network leads to the formation of a layered structure.« less