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

共 49 条

[31]

Mason N.J., UNPUB

[32] THEORY OF LOW-ENERGY-ELECTRON SCATTERING BY POLAR MOLECULES [J].

MITTLEMAN, MH ;

VONHOLDT, RE .

PHYSICAL REVIEW, 1965, 140 (3A) :A726-+

[33] The UK molecular R-matrix codes [J].

Morgan, LA ;

Tennyson, J ;

Gillan, CJ .

COMPUTER PHYSICS COMMUNICATIONS, 1998, 114 (1-3) :120-128

[34] R-matrix calculations for polyatomic molecules: electron scattering by N2O [J].

Morgan, LA ;

Gillan, CJ ;

Tennyson, J ;

Chen, XS .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1997, 30 (18) :4087-4096

[35]

Morrison M.A., 1988, ADV ATOM MOL PHYS, V24, P51156

[36] ON THE USE OF THE UNITARIZED BORN APPROXIMATION IN ELECTRON COLLISIONS WITH POLAR-MOLECULES [J].

PADIAL, NT ;

NORCROSS, DW ;

COLLINS, LA .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1981, 14 (16) :2901-2909

[37] On the calculation of electron-impact rotational excitation cross sections for molecular ions [J].

Rabadan, I ;

Sarpal, BK ;

Tennyson, J .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1998, 31 (09) :2077-2090

[38] Low energy electron attachment to CH3CN [J].

Sailer, W ;

Pelc, A ;

Limao-Vieira, P ;

Mason, NJ ;

Limtrakul, J ;

Scheier, P ;

Probst, M ;

Märk, TD .

CHEMICAL PHYSICS LETTERS, 2003, 381 (1-2) :216-222

[39] Differential cross sections for electron/positron scattering from polyatomic molecules [J].

Sanna, N ;

Gianturco, FA .

COMPUTER PHYSICS COMMUNICATIONS, 1998, 114 (1-3) :142-167

[40] Electron scattering cross sections from HCN over a broad energy range (0.1-10 000 eV): Influence of the permanent dipole moment on the scattering process [J].

Sanz, A. G. ;

Fuss, M. C. ;

Blanco, F. ;

Sebastianelli, F. ;

Gianturco, F. A. ;

Garcia, G. .

JOURNAL OF CHEMICAL PHYSICS, 2012, 137 (12)

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