Electron collisions with formic acid

被引:8
|
作者
Randi, Pedro A. S. [1 ]
Moreira, Giseli M. [1 ]
Bettega, Marcio H. F. [1 ]
机构
[1] Univ Fed Parana, Dept Fis, Caixa Postal 19044, BR-81531980 Curitiba, Parana, Brazil
关键词
CROSS-SECTIONS; ORGANIC-MOLECULES; IMPACT EXCITATION; EXCITED-STATES; GAS-PHASE; IONIZATION; SCATTERING; DISSOCIATION; RESONANCES; ATTACHMENT;
D O I
10.1140/epjd/s10053-021-00318-x
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
We report elastic, electronically inelastic, total ionization and total cross sections for the scattering of electrons by trans-formic acid. The calculations of the elastic and electronically inelastic cross sections were performed with the Schwinger multichannel method implemented with norm-conserving pseudopotentials. The electronically inelastic calculations were done within the minimal orbital basis for single configuration interaction approach with different multichannel coupling schemes considering from 1 up to 51 open channels, which enable us to study the influence of the multichannel coupling effects on the calculated cross sections. Polarization effects in the elastic channel were taken into account considering only the excitations related to the pairs used in the minimal orbital basis for single configuration interaction approach. We found that the magnitude of the elastic and inelastic cross sections decreases as more channels are treated as open in the scattering calculations. The calculated elastic differential cross sections present an overall good agreement with previous studies found in the literature. The elastic integral cross section presents a well-known pi* shape resonance centered at 1.96 eV. The total ionization cross section was calculated with the binary-encounter-Bethe model and presents a good agreement with previous results from the literature. The total cross section was estimated using the calculated elastic, inelastic and ionization cross sections.
引用
收藏
页数:12
相关论文
共 50 条
  • [1] Electron collisions with the HCOOH•••(H2O)n complexes (n=1, 2) in liquid phase: The influence of microsolvation on the π* resonance of formic acid
    Freitas, T. C.
    Coutinho, K.
    Varella, M. T. do N.
    Lima, M. A. P.
    Canuto, S.
    Bettega, M. H. F.
    JOURNAL OF CHEMICAL PHYSICS, 2013, 138 (17)
  • [3] Low-energy electron collisions with acetic acid
    Freitas, T. C.
    Varella, M. T. do N.
    da Costa, R. F.
    Lima, M. A. P.
    Bettega, M. H. F.
    PHYSICAL REVIEW A, 2009, 79 (02):
  • [4] Electron transfer to phenyl boronic acid upon potassium collisions
    da Silva, F. Ferreira
    Pamplona, B.
    Mendes, M.
    Garcia, G.
    Limao-Vieira, P.
    31ST INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC AND ATOMIC COLLISIONS (ICPEAC XXXI), 2020, 1412
  • [5] Electron momentum spectroscopy of formic acid
    Nixon, K. L.
    Lawrance, W. D.
    Brunger, M. J.
    CHEMICAL PHYSICS LETTERS, 2009, 474 (1-3) : 23 - 27
  • [6] Cross Sections for Electron Collisions with Oxygen Molecules
    Itikawa, Yukikazu
    JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 2009, 38 (01) : 1 - 20
  • [7] Cross Sections for Electron Collisions with NF3
    Song, Mi-Young
    Yoon, Jung-Sik
    Cho, Hyuck
    Karwasz, Grzegorz P.
    Kokoouline, Viatcheslav
    Nakamura, Yoshiharu
    Hamilton, James R.
    Tennyson, Jonathan
    JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 2017, 46 (04)
  • [8] Ionization and ionic fragmentation of tetrahydrofuran molecules by electron collisions
    Dampc, Marcin
    Szymanska, Ewelina
    Mielewska, Brygida
    Zubek, Mariusz
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2011, 44 (05)
  • [9] Elastic Electron Collisions with Cyanoacetylene
    da Mata, Victor A. S.
    Moreira, Giseli M.
    da Silva, Adevania J.
    da Costa, Romarly F.
    Mendes, Luiz A. V.
    Homem, Manoel G. P.
    ACS PHYSICAL CHEMISTRY AU, 2025,
  • [10] Electron Collisions with Hydrogen Fluoride
    Itikawa, Yukikazu
    JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 2017, 46 (01)