Dissociative electron attachment in C2H via electronic resonances

被引:2
|
作者
Gulania, Sahil [1 ]
Krylov, Anna, I [1 ]
机构
[1] Univ Southern Calif, Dept Chem, Los Angeles, CA 90089 USA
关键词
Electronic resonance; EOM-CCSD; Plasma physics; Non-Hermitian quantum mechanics; Dissociative electron attachment; COUPLED-CLUSTER METHOD; QUANTUM-CHEMISTRY; OPEN-SHELL; ASTRONOMICAL DETECTION; PHOTOELECTRON-SPECTRA; EXCITATION-ENERGIES; BASIS-SETS; STATE; IDENTIFICATION; WIDTHS;
D O I
10.1080/00268976.2021.1979262
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Investigation of microwave-activated CH4/H-2 plasma used in chemical vapour deposition of diamond revealed the presence of electronically excited C-2(-)* (B-2 Sigma(+)(u)). Using high-level electronic structure methods, we investigate electronic structure of C2H- and suggest possible routes for the formation of C-2(-) in the ground (X-2 Sigma(+)(g)) and excited (B-2 Sigma(+)(u)) states via electronic resonances. To describe electronically metastable states, we employ the equation-of-motion coupled-cluster method augmented by the complex absorbing potential. The resonance wavefunctions are analysed using natural transition orbitals. We identified several resonances in C2H-, including the state that may lead to C-2(-)* (B-2 Sigma(+)(u)). [GRAPHICS]
引用
收藏
页数:11
相关论文
共 50 条
  • [31] Dissociative electron attachment to CO2
    Cicman, P
    Senn, G
    Denifl, G
    Muigg, D
    Skalny, JD
    Lukac, P
    Stamatovic, A
    Mark, TD
    CZECHOSLOVAK JOURNAL OF PHYSICS, 1998, 48 (10) : 1135 - 1145
  • [32] DISSOCIATIVE ATTACHMENT OF ELECTRONS IN C2H2 AND C2D2
    AZRIA, R
    FIQUETFA.F
    JOURNAL DE PHYSIQUE, 1972, 33 (07): : 663 - &
  • [33] NEGATIVE-ION PRODUCTION VIA DISSOCIATIVE ATTACHMENT TO H-2
    WADEHRA, JM
    AIP CONFERENCE PROCEEDINGS, 1984, (111) : 46 - 54
  • [34] ELECTRON-STIMULATED DESORPTION OF H- IONS VIA DISSOCIATIVE ELECTRON-ATTACHMENT IN CONDENSED METHANOL
    PARENTEAU, L
    JAYGERIN, JP
    SANCHE, L
    JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (40): : 10277 - 10281
  • [35] Dissociative electron attachment to vibrationally excited H2 molecules involving the 2Σg+ resonant Rydberg electronic state
    Celiberto, R.
    Janev, R. K.
    Wadehra, J. M.
    Tennyson, J.
    CHEMICAL PHYSICS, 2012, 398 : 206 - 213
  • [36] THEORETICAL PREDICTION OF VERTICAL ELECTRONIC-SPECTRUM OF C2H RADICAL
    SHIH, S
    PEYERIMHOFF, SD
    BUENKER, RJ
    JOURNAL OF MOLECULAR SPECTROSCOPY, 1977, 64 (02) : 167 - 179
  • [37] Dissociative electron attachment to H2S probed by ion momentum imaging
    Ram, N. Bhargava
    Krishnakumar, E.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 13 (30) : 13621 - 13628
  • [38] C2H in prestellar cores
    Padovani, M.
    Walmsley, C. M.
    Tafalla, M.
    Galli, D.
    Mueller, H. S. P.
    ASTRONOMY & ASTROPHYSICS, 2009, 505 (03): : 1199 - 1211
  • [39] Dissociative electron attachment to C2N2 molecules at surface and in gas phase
    Deng, ZW
    Souda, R
    JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (04): : 1725 - 1730
  • [40] Dissociative electron attachment to CHF2Cl
    Cicman, P
    Pelc, A
    Sailer, W
    Matejcik, S
    Scheier, P
    Märk, TD
    CHEMICAL PHYSICS LETTERS, 2003, 371 (3-4) : 231 - 237