Joint experimental and theoretical study on low-energy elastic electron scattering by gaseous alkynes: Differential cross sections, shape resonances, and methylation effects

被引:0
作者
Khakoo, M. A. [1 ]
Tatreau, G. [1 ]
Childers, J. G. [1 ]
Oen, K. [2 ]
Fernandez, J. [2 ]
Hlousek, B. A. [1 ]
Zawadzki, M. [3 ]
Bardela, F. P. [4 ]
Dalagnol, L. V. S. [5 ]
Moreira, G. M. [5 ]
Bettega, M. H. F. [5 ]
Barbosa, A. Souza [5 ]
机构
[1] Calif State Univ Fullerton, Dept Phys, Fullerton, CA 92831 USA
[2] Troy High Sch, 2200 Dorothy Lane, Fullerton, CA 92831 USA
[3] Gdansk Univ Technol, Fac Appl Phys & Math, Dept Atom Mol & Opt Phys, Atom Phys Div, Ul G Narutowicza 11-12, PL-80233 Gdansk, Poland
[4] Univ Fed Sao Carlos, Dept Quim, BR-13565905 Sao Carlos, SP, Brazil
[5] Univ Fed Parana, Dept Fis, Caixa Postal 19044, BR-81531980 Curitiba, Parana, Brazil
基金
美国国家科学基金会;
关键词
EXCITATION; PSEUDOPOTENTIALS; MOLECULES; IMPACT; STATES; HE;
D O I
10.1103/PhysRevA.105.042809
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
A detailed comparison of experimental and theoretical elastic cross sections for low-energy electron scattering by ethyne (C2H2), taken earlier in our group by Gauf et al. [Phys. Rev. A 87, 012710 (2013)], and some of its methylated derivatives, propyne (C3H4), and the isomers 1-butyne and 2-butyne (n-C4H6, n = 1, 2), taken here, are presented. The present differential cross sections were measured at incident electron energies ranging from 1 eV to 30 eV and for scattering angles from 5??? to 130??? using the relative flow method with an aperture gas source. Our earlier work was taken over a larger energy range of up to 100 eV. The theoretical calculations were carried out for impact energies up to 30 eV, employing the Schwinger multichannel method with pseudopotentials in the static-exchange plus polarization approximation. In addition to the differential cross sections, we present the integral and momentum transfer cross sections with which we discuss the shape resonances present in these systems and other physical phenomena, such as the presence of Ramsauer-Townsend minimum. We also compare our theoretical and experimental results with previous data that are available in the literature.
引用
收藏
页数:14
相关论文
共 47 条
[1]  
[Anonymous], 1995, Handbook of Chemistry and Physics
[2]  
ARi Industries Inc.,, 1HN040B 16 3 BIAX CA
[3]   PSEUDOPOTENTIALS THAT WORK - FROM H TO PU [J].
BACHELET, GB ;
HAMANN, DR ;
SCHLUTER, M .
PHYSICAL REVIEW B, 1982, 26 (08) :4199-4228
[4]   Recent developments in the general atomic and molecular electronic structure system [J].
Barca, Giuseppe M. J. ;
Bertoni, Colleen ;
Carrington, Laura ;
Datta, Dipayan ;
De Silva, Nuwan ;
Deustua, J. Emiliano ;
Fedorov, Dmitri G. ;
Gour, Jeffrey R. ;
Gunina, Anastasia O. ;
Guidez, Emilie ;
Harville, Taylor ;
Irle, Stephan ;
Ivanic, Joe ;
Kowalski, Karol ;
Leang, Sarom S. ;
Li, Hui ;
Li, Wei ;
Lutz, Jesse J. ;
Magoulas, Ilias ;
Mato, Joani ;
Mironov, Vladimir ;
Nakata, Hiroya ;
Pham, Buu Q. ;
Piecuch, Piotr ;
Poole, David ;
Pruitt, Spencer R. ;
Rendell, Alistair P. ;
Roskop, Luke B. ;
Ruedenberg, Klaus ;
Sattasathuchana, Tosaporn ;
Schmidt, Michael W. ;
Shen, Jun ;
Slipchenko, Lyudmila ;
Sosonkina, Masha ;
Sundriyal, Vaibhav ;
Tiwari, Ananta ;
Vallejo, Jorge L. Galvez ;
Westheimer, Bryce ;
Wloch, Marta ;
Xu, Peng ;
Zahariev, Federico ;
Gordon, Mark S. .
JOURNAL OF CHEMICAL PHYSICS, 2020, 152 (15)
[5]   Low-energy electron scattering by N2O [J].
Bettega, M. H. F. ;
Winstead, C. ;
McKoy, V. .
PHYSICAL REVIEW A, 2006, 74 (02)
[6]   TRANSFERABILITY OF LOCAL-DENSITY NORM-CONSERVING PSEUDOPOTENTIALS TO ELECTRON-MOLECULE-COLLISION CALCULATIONS [J].
BETTEGA, MHF ;
FERREIRA, LG ;
LIMA, MAP .
PHYSICAL REVIEW A, 1993, 47 (02) :1111-1118
[7]   MacMolPlt: A graphical user interface for GAMESS [J].
Bode, BM ;
Gordon, MS .
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 1998, 16 (03) :133-+
[8]   EXCITATION OF METHANE ETHANE ETHYLENE PROPYLENE ACETYLENE PROPYNE AND 1-BUTYNE BY LOW-ENERGY ELECTRON BEAMS [J].
BOWMAN, CR ;
MILLER, WD .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (02) :681-&
[9]   Electron scattering and transport in biofuels, biomolecules and biomass fragments [J].
Brunger, M. J. .
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 2017, 36 (02) :333-376
[10]   RESONANCE STRUCTURE IN ELASTIC ELECTRON-SCATTERING FROM HELIUM, NEON AND ARGON [J].
BRUNT, JNH ;
KING, GC ;
READ, FH .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1977, 10 (07) :1289-1301