Theory of radiative electron attachment to molecules: Benchmark study of CN-

被引:25
作者
Douguet, Nicolas [1 ]
dos Santos, Samantha Fonseca [1 ]
Raoult, Maurice [2 ]
Dulieu, Olivier [2 ]
Orel, Ann E. [1 ]
Kokoouline, Viatcheslav [3 ]
机构
[1] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA
[2] Univ Paris 11, CNRS, ENS Cachan, Lab Aime Cotton, F-91405 Orsay, France
[3] Univ Cent Florida, Dept Phys, Orlando, FL 32816 USA
来源
PHYSICAL REVIEW A | 2013年 / 88卷 / 05期
基金
美国国家科学基金会;
关键词
INTERSTELLAR CLOUDS; CIRCUMSTELLAR ENVELOPES; ASTRONOMICAL IDENTIFICATION; ANIONS; IONS; C4H; SPECTROSCOPY; IRC+10216; CHEMISTRY; C6H;
D O I
10.1103/PhysRevA.88.052710
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
We have developed an approach based on first principles to study the process of radiative electron attachment (REA) to linear molecules of astrophysical interest in collisions between the molecules and electrons at energies below 1 eV. The approach is based on accurate ab initio calculations of electronic bound and continuum states of the negative ion. The electronic continuum states are obtained with the complex-Kohn variational method. The benchmark calculation for the REA to the simplest negative ion CN-, which was recently observed in the interstellar medium, has produced a relatively low rate coefficient alpha(T) = 7.3 x 10(-16) cm(3)/s at T = 30 K. Moreover, our results are shown to agree well with microscopic reversibility applied on a recent photodetachment experiment on CN-. Finally, the study confirms a previous assessment that the CN- ion is unlikely be formed by REA in the interstellar medium.
引用
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页数:11
相关论文
共 33 条
[1]   Astronomical identification of CN-, the smallest observed molecular anion [J].
Agundez, M. ;
Cernicharo, J. ;
Guelin, M. ;
Kahane, C. ;
Roueff, E. ;
Klos, J. ;
Aoiz, F. J. ;
Lique, F. ;
Marcelino, N. ;
Goicoechea, J. R. ;
Garcia, M. Gonzalez ;
Gottlieb, C. A. ;
McCarthy, M. C. ;
Thaddeus, P. .
ASTRONOMY & ASTROPHYSICS, 2010, 517
[2]  
Ajitah D., 2001, PHYS LETT, V347, P121
[3]   Dipole moments of 2Σ and 2Π states of CN radical at different internuclear distances via Fock space multi-reference coupled cluster linear response approach [J].
Ajitha, D ;
Hirao, K .
CHEMICAL PHYSICS LETTERS, 2001, 347 (1-3) :121-126
[4]  
[Anonymous], 2008, MOLPRO VERSION 2008
[5]  
[Anonymous], 1979, Molecular Spectra and Molecular Siructure: IV. Constants of Diatomic Molecules
[6]   Multichannel Rydberg spectroscopy of complex atoms [J].
Aymar, M ;
Greene, CH ;
LucKoenig, E .
REVIEWS OF MODERN PHYSICS, 1996, 68 (04) :1015-1123
[7]   Formation of H3- by radiative association of H2 and H- in the interstellar medium [J].
Ayouz, M. ;
Lopes, R. ;
Raoult, M. ;
Dulieu, O. ;
Kokoouline, V. .
PHYSICAL REVIEW A, 2011, 83 (05)
[8]   PHOTOELECTRON-SPECTROSCOPY OF CN-, NCO-, AND NCS- [J].
BRADFORTH, SE ;
KIM, EH ;
ARNOLD, DW ;
NEUMARK, DM .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (02) :800-810
[9]   Astronomical detection of C4H-, the second interstellar anion [J].
Cernicharo, J. ;
Guelin, M. ;
Agundez, M. ;
Kawaguchi, K. ;
McCarthy, M. ;
Thaddeus, P. .
ASTRONOMY & ASTROPHYSICS, 2007, 467 (02) :L37-L40
[10]   DETECTION OF C5N- AND VIBRATIONALLY EXCITED C6H IN IRC+10216 [J].
Cernicharo, J. ;
Guelin, M. ;
Agundez, M. ;
McCarthy, M. C. ;
Thaddeus, P. .
ASTROPHYSICAL JOURNAL LETTERS, 2008, 688 (02) :L83-L86