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Title: Low to intermediate energy elastic electron scattering from dichloromethane (CH 2 Cl 2 )

Abstract

We report a theoretical-experimental investigation of electron scattering by dichloromethane (CH2Cl2) in the low- and intermediate energy ranges. Experimental elastic differential cross sections (DCS), in the incident electron energy range of 0.5–800 eV and scattering angle range of 10°–130°, were measured using a crossed beam relative flow technique. Integral and momentum-transfer cross sections were determined from the experimental DCS. Theoretical elastic differential, integral, and momentum-transfer, as well as grand-total, and total absorption cross sections were also calculated for impact energies ranging from 0.5 to 500 eV. A complex optical Hartree–Fock potential represented the electron-target interaction and a single-center expansion method combined with a Padé approximation was used to solve the scattering equations. Three resonances: a 2A1 C–Cl kσ* resonance centered at about 3.5 eV, a 2B2 C–Cl kσ* resonance centered at about 5 eV and a broad 2A1 C–H kσ* resonance at about 10 eV were detected in our calculation. Further calculations of DCS were performed at an intermediate energy range of 50–800 eV, using the independent-atom model in which the atomic complex optical potential and partial-wave method were used to obtain atomic scattering amplitudes. In conclusion, comparisons of our experimental and theoretical data with very recent experimental and theoreticalmore » results are made.« less

Authors:
 [1];  [1];  [2]; ORCiD logo [1];  [3];  [4];  [3];  [3];  [3]; ORCiD logo [3]
  1. California State Univ. (CalState), Fullerton, CA (United States)
  2. California State Univ. (CalState), Fullerton, CA (United States); Gdańsk University of Technology, Gdańsk (Poland)
  3. Univ. Federal de São Carlos, São Carlos, SP (Brazil)
  4. Texas A & M Univ., College Station, TX (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1580358
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physics. B, Atomic, Molecular and Optical Physics
Additional Journal Information:
Journal Volume: 52; Journal Issue: 2; Journal ID: ISSN 0953-4075
Publisher:
IOP Publishing
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS

Citation Formats

Hlousek, B. A., Martin, M. F., Zawadzki, M., Khakoo, M. A., Machado, L. E., Lucchese, R. R., da Mata, V. A. S., Iga, I., Lee, M-T, and Homem, M. G. P. Low to intermediate energy elastic electron scattering from dichloromethane (CH 2 Cl 2 ). United States: N. p., 2018. Web. doi:10.1088/1361-6455/aaf2f4.
Hlousek, B. A., Martin, M. F., Zawadzki, M., Khakoo, M. A., Machado, L. E., Lucchese, R. R., da Mata, V. A. S., Iga, I., Lee, M-T, & Homem, M. G. P. Low to intermediate energy elastic electron scattering from dichloromethane (CH 2 Cl 2 ). United States. https://doi.org/10.1088/1361-6455/aaf2f4
Hlousek, B. A., Martin, M. F., Zawadzki, M., Khakoo, M. A., Machado, L. E., Lucchese, R. R., da Mata, V. A. S., Iga, I., Lee, M-T, and Homem, M. G. P. Wed . "Low to intermediate energy elastic electron scattering from dichloromethane (CH 2 Cl 2 )". United States. https://doi.org/10.1088/1361-6455/aaf2f4. https://www.osti.gov/servlets/purl/1580358.
@article{osti_1580358,
title = {Low to intermediate energy elastic electron scattering from dichloromethane (CH 2 Cl 2 )},
author = {Hlousek, B. A. and Martin, M. F. and Zawadzki, M. and Khakoo, M. A. and Machado, L. E. and Lucchese, R. R. and da Mata, V. A. S. and Iga, I. and Lee, M-T and Homem, M. G. P.},
abstractNote = {We report a theoretical-experimental investigation of electron scattering by dichloromethane (CH2Cl2) in the low- and intermediate energy ranges. Experimental elastic differential cross sections (DCS), in the incident electron energy range of 0.5–800 eV and scattering angle range of 10°–130°, were measured using a crossed beam relative flow technique. Integral and momentum-transfer cross sections were determined from the experimental DCS. Theoretical elastic differential, integral, and momentum-transfer, as well as grand-total, and total absorption cross sections were also calculated for impact energies ranging from 0.5 to 500 eV. A complex optical Hartree–Fock potential represented the electron-target interaction and a single-center expansion method combined with a Padé approximation was used to solve the scattering equations. Three resonances: a 2A1 C–Cl kσ* resonance centered at about 3.5 eV, a 2B2 C–Cl kσ* resonance centered at about 5 eV and a broad 2A1 C–H kσ* resonance at about 10 eV were detected in our calculation. Further calculations of DCS were performed at an intermediate energy range of 50–800 eV, using the independent-atom model in which the atomic complex optical potential and partial-wave method were used to obtain atomic scattering amplitudes. In conclusion, comparisons of our experimental and theoretical data with very recent experimental and theoretical results are made.},
doi = {10.1088/1361-6455/aaf2f4},
journal = {Journal of Physics. B, Atomic, Molecular and Optical Physics},
number = 2,
volume = 52,
place = {United States},
year = {Wed Dec 19 00:00:00 EST 2018},
month = {Wed Dec 19 00:00:00 EST 2018}
}

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Works referenced in this record:

Cross section and asymmetry parameter calculation for sulfur 1s photoionization of SF6
journal, September 1999

  • Natalense, Alexandra P. P.; Lucchese, Robert R.
  • The Journal of Chemical Physics, Vol. 111, Issue 12
  • DOI: 10.1063/1.479794

Total cross sections for electron scattering on chloromethanes: Formulation of the additivity rule
journal, February 1999

  • Karwasz, Grzegorz P.; Brusa, Roberto S.; Piazza, Andrea
  • Physical Review A, Vol. 59, Issue 2
  • DOI: 10.1103/PhysRevA.59.1341

Absolute elastic differential electron scattering cross sections for He: A proposed calibration standard from 5 to 200 eV
journal, April 1980


Dual-frequency capacitively coupled chlorine discharge
journal, November 2014


Total cross sections for electron scattering with halocarbon molecules
journal, March 2014

  • Naghma, Rahla; Gupta, Dhanoj; Antony, Bobby
  • Journal of Electron Spectroscopy and Related Phenomena, Vol. 193
  • DOI: 10.1016/j.elspec.2014.03.003

Global (volume-averaged) model of inductively coupled chlorine plasma: Influence of Cl wall recombination and external heating on continuous and pulse-modulated plasmas
journal, June 2014


Absolute elastic differential electron scattering cross sections in the intermediate energy region. I. H 2
journal, September 1975

  • Srivastava, Santosh K.; Chutjian, A.; Trajmar, S.
  • The Journal of Chemical Physics, Vol. 63, Issue 6
  • DOI: 10.1063/1.431659

Role of adsorption effects on absolute electron-molecule cross-section calibration using the relative flow technique
journal, January 2011

  • Homem, M. G. P.; Iga, I.; Sugohara, R. T.
  • Review of Scientific Instruments, Vol. 82, Issue 1
  • DOI: 10.1063/1.3525799

Rate Coefficients for Dissociative Electron Attachment by Halomethane Compounds between 300 and 800 K
journal, January 1996

  • Burns, Steven J.; Matthews, Jeanne M.; McFadden, David L.
  • The Journal of Physical Chemistry, Vol. 100, Issue 50
  • DOI: 10.1021/jp962529h

Remediation of Dichloromethane (CH 2 Cl 2 ) Using Non-thermal, Atmospheric Pressure Plasma Generated in a Packed-Bed Reactor
journal, December 2013

  • Abd Allah, Zaenab; Whitehead, J. Christopher; Martin, Philip
  • Environmental Science & Technology, Vol. 48, Issue 1
  • DOI: 10.1021/es402953z

Performance of chlorobenzene removal in a nonthermal plasma catalysis reactor and evaluation of its byproducts
journal, November 2015


Electron collisions with small esters: A joint experimental-theoretical investigation
journal, March 2016


Low energy electron scattering from CH 3 Cl
journal, February 1996

  • Shi, X.; Chan, V. K.; Gallup, G. A.
  • The Journal of Chemical Physics, Vol. 104, Issue 5
  • DOI: 10.1063/1.470982

Theoretical and experimental investigation of electron collisions with acetone
journal, September 2015


Angular distribution of electrons elastically scattered from gases: 1.5-400 eV on N 2 . II
journal, September 1980


Accurate determination of background scattered electrons in crossed electron– and gas–beam experiments using a movable gas beam source
journal, May 2003


Absolute differential cross sections for elastic scattering of electrons by helium, neon, argon and molecular nitrogen
journal, February 1976

  • Jansen, R. H. J.; Heer, F. J. de; Luyken, H. J.
  • Journal of Physics B: Atomic and Molecular Physics, Vol. 9, Issue 2
  • DOI: 10.1088/0022-3700/9/2/009

Temporary Anion States of Dichloroalkanes and Selected Polychloroalkanes
journal, July 2000

  • Aflatooni, Kayvan; Gallup, Gordon A.; Burrow, Paul D.
  • The Journal of Physical Chemistry A, Vol. 104, Issue 31
  • DOI: 10.1021/jp000848+

Electron-impact excitation of the ns[3/2] o J=2,1 and ns'[ 1/2] o J=0,1 levels of Ne, Ar, Kr and Xe
journal, July 1994

  • Khakoo, M. A.; Beckmann, C. E.; Trajmar, S.
  • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 27, Issue 14
  • DOI: 10.1088/0953-4075/27/14/045

Low-energy elastic electron scattering from isobutanol and related alkyl amines
journal, September 2014


Differential elastic electron scattering cross sections for CCl 4 by 1.5–100 eV energy electron impact
journal, December 2011

  • Limão-Vieira, P.; Horie, M.; Kato, H.
  • The Journal of Chemical Physics, Vol. 135, Issue 23
  • DOI: 10.1063/1.3669429

Electron collisions with atoms, ions, molecules, and surfaces: Fundamental science empowering advances in technology
journal, June 2016

  • Bartschat, Klaus; Kushner, Mark J.
  • Proceedings of the National Academy of Sciences, Vol. 113, Issue 26
  • DOI: 10.1073/pnas.1606132113

Low-energy elastic electron scattering from chloromethane, CH 3 Cl
journal, August 2015

  • Navarro, C.; Sakaamini, A.; Cross, J.
  • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 48, Issue 19
  • DOI: 10.1088/0953-4075/48/19/195202

Electron scattering by methanol and ethanol: A joint theoretical-experimental investigation
journal, March 2012

  • Lee, M. -T.; de Souza, G. L. C.; Machado, L. E.
  • The Journal of Chemical Physics, Vol. 136, Issue 11
  • DOI: 10.1063/1.3695211

Differential cross sections for elastic scattering of electrons from argon, neon, nitrogen and carbon monoxide
journal, October 1976


Experimental and theoretical electron-scattering cross-section data for dichloromethane
journal, April 2018


The Chemistry of Dichloromethane Destruction in Atmospheric-Pressure Gas Streams by a Dielectric Packed-Bed Plasma Reactor
journal, June 2000

  • Fitzsimmons, C.; Ismail, F.; Whitehead, J. C.
  • The Journal of Physical Chemistry A, Vol. 104, Issue 25
  • DOI: 10.1021/jp000354c

The increasing threat to stratospheric ozone from dichloromethane
journal, June 2017

  • Hossaini, Ryan; Chipperfield, Martyn P.; Montzka, Stephen A.
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms15962

Electron interaction with dimethyl disulfide in the low- and intermediate-energy range
journal, November 2016


Cross sections for electron scattering by propane in the low- and intermediate-energy ranges
journal, July 2010


General atomic and molecular electronic structure system
journal, November 1993

  • Schmidt, Michael W.; Baldridge, Kim K.; Boatz, Jerry A.
  • Journal of Computational Chemistry, Vol. 14, Issue 11, p. 1347-1363
  • DOI: 10.1002/jcc.540141112

Substitution effects in elastic electron collisions with CH3X (X=F, Cl, Br, I) molecules
journal, February 2010

  • Kato, H.; Asahina, T.; Masui, H.
  • The Journal of Chemical Physics, Vol. 132, Issue 7
  • DOI: 10.1063/1.3319761

Dissociative electron attachment in chlorofluoromethanes and the correlation with vertical attachment energies
journal, February 2001


A study of resonance structure in helium using metastable excitation by electron impact with high energy resolution
journal, February 1977

  • Brunt, J. N. H.; King, G. C.; Read, F. H.
  • Journal of Physics B: Atomic and Molecular Physics, Vol. 10, Issue 3
  • DOI: 10.1088/0022-3700/10/3/012

Calculation of low‐energy elastic cross sections for electron‐CF 4 scattering
journal, May 1994

  • Gianturco, F. A.; Lucchese, R. R.; Sanna, N.
  • The Journal of Chemical Physics, Vol. 100, Issue 9
  • DOI: 10.1063/1.467237

Halogenation effects in electron scattering from CHF_{3}, CH_{2}F_{2}, CH_{3}F, CHCl_{3}, CH_{2}Cl_{2}, CH_{3}Cl, CFCl_{3}, CF_{2}Cl_{2}, and CF_{3}Cl
journal, January 1999

  • Natalense, Alexandra P. P.; Bettega, Márcio H. F.; Ferreira,1, Luiz G.
  • Physical Review A, Vol. 59, Issue 1
  • DOI: 10.1103/PhysRevA.59.879

Low energy elastic electron scattering from ethylene
journal, September 2007

  • Khakoo, M. A.; Keane, K.; Campbell, C.
  • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 40, Issue 18
  • DOI: 10.1088/0953-4075/40/18/003

Improvement on the complex optical potential for electron collisions with atoms and molecules
journal, March 2007

  • Lee, M. -T.; Iga, I.; Machado, L. E.
  • Journal of Electron Spectroscopy and Related Phenomena, Vol. 155, Issue 1-3
  • DOI: 10.1016/j.elspec.2006.10.009

Electron attachment to halomethanes at high temperature: CH2Cl2, CF2Cl2, CH3Cl, and CF3Cl attachment rate constants up to 1100 K
journal, August 2009

  • Miller, Thomas M.; Friedman, Jeffrey F.; Schaffer, Linda C.
  • The Journal of Chemical Physics, Vol. 131, Issue 8
  • DOI: 10.1063/1.3212598

Investigation of the shape of the imaginary part of the optical-model potential for electron scattering by rare gases
journal, June 1984

  • Staszewska, Grażyna; Schwenke, David W.; Truhlar, Donald G.
  • Physical Review A, Vol. 29, Issue 6
  • DOI: 10.1103/PhysRevA.29.3078

A note on the use of the additivity rule for electron-molecule elastic scattering
journal, December 1991


Cross sections for elastic electron collisions with tetrahydrofuran
journal, September 2009


Variational calculations of accurate e -He cross sections below 19 eV
journal, July 1979


Theoretical and experimental investigation of electron collisions with dimethyl sulfide
journal, January 2015


Electron-molecule interactions. IV. Scattering by polyatomic molecules
journal, December 1972

  • Burke, P. G.; Chandra, N.; Gianturco, F. A.
  • Journal of Physics B: Atomic and Molecular Physics, Vol. 5, Issue 12
  • DOI: 10.1088/0022-3700/5/12/015

Applications of the Schwinger multichannel method with pseudopotentials to electron scattering from polyatomic molecules I: elastic cross sections
journal, January 2001

  • Natalense, Alexandra P. P.; Varella, M�rcio T. do N.; Bettega, M�rcio H. F.
  • Brazilian Journal of Physics, Vol. 31, Issue 1
  • DOI: 10.1590/S0103-97332001000100003

Atmospheric chemistry of CH3Cl: mechanistic study of the reaction of CH2ClO2 radicals with HO2
journal, March 1996

  • Wallington, Timothy J.; Hurley, Michael D.; Schneider, William F.
  • Chemical Physics Letters, Vol. 251, Issue 3-4
  • DOI: 10.1016/0009-2614(96)00080-2

Self-interaction correction to density-functional approximations for many-electron systems
journal, May 1981


The increasing threat to stratospheric ozone from dichloromethane.
text, January 2017

  • Hossaini, Ryan; Chipperfield, Martyn P.; Montzka, Stephen A.
  • Apollo - University of Cambridge Repository
  • DOI: 10.17863/cam.21715

Cross sections for electron scattering by ethane in the low- and intermediate-energy ranges
journal, October 2010

  • Rawat, P.; Homem, M. G. P.; Sugohara, R. T.
  • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 43, Issue 22
  • DOI: 10.1088/0953-4075/43/22/225202

Dissociative electron attachment to CH 2 Cl 2 , CHCH 3 Cl 2 , and C(CH 3 ) 2 Cl 2
journal, October 2011

  • Gallup, Gordon A.; Fabrikant, Ilya I.
  • The Journal of Chemical Physics, Vol. 135, Issue 13
  • DOI: 10.1063/1.3646500

Plasma etching: Yesterday, today, and tomorrow
journal, September 2013

  • Donnelly, Vincent M.; Kornblit, Avinoam
  • Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 31, Issue 5
  • DOI: 10.1116/1.4819316

Works referencing / citing this record:

Total cross section measurements for electron scattering from dichloromethane
journal, December 2018

  • Lozano, A. I.; Álvarez, L.; Blanco, F.
  • The Journal of Chemical Physics, Vol. 149, Issue 24
  • DOI: 10.1063/1.5080636