Elastic scattering of low-energy electrons by CH3CN and CH3NC molecules

被引：14

作者：

Fujimoto, Milton M. ^{[1
]}

de Lima, Erik V. R. ^{[1
]}

Tennyson, Jonathan ^{[2
]}

机构：

[1] Univ Fed Parana, Dept Fis, BR-81531990 Curitiba, Parana, Brazil

[2] UCL, Dept Phys & Astron, London WC1E 6BT, England

来源：

EUROPEAN PHYSICAL JOURNAL D | 2015年 / 69卷 / 06期

关键词：

IMPACT ROTATIONAL-EXCITATION; TEMPORARY ANION STATES; AB-INITIO CALCULATIONS; R-MATRIX CALCULATIONS; NEGATIVE-IONS; POLYATOMIC-MOLECULES; CROSS-SECTIONS; POLAR-MOLECULES; HCN MOLECULES; COLLISIONS;

D O I：

10.1140/epjd/e2015-60189-1

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Rotationally-summed elastic cross sections for electrons collisions with the isomers acetonitrile and methyl isocyanide are reported. Theoretical differential and integral cross sections are calculated using the UK molecular R-matrix codes in the energy range from 1 eV to 10 eV. The dynamic interaction is represented within a static-exchange plus polarization model based on the use of an extensive orbital sets. Both molecule have a large permanent dipole moment and a Born closure procedure is used to get more reliable cross sections. These molecules show low-energy, pi* resonances at 2.4 and 2.7 eV for CH3CN and CH3NC, respectively; and very broad sigma* ones at about 6 eV. Our results suggest that electron collisions with CH3CN / CH3NC show similar properties to those found for electron collisions with HCN / HNC.

引用

页数：8

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