Cumulenic and heterocumulenic anions: potential interstellar species?

被引:42
作者
Blanksby, SJ
McAnoy, AM
Dua, S
Bowie, JH
机构
[1] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA
[2] Univ Adelaide, Dept Chem, Adelaide, SA 5005, Australia
关键词
molecular processes; ISM : abundances; ISM : lines and bands; ISM : molecules; infrared : ISM; radio lines : ISM;
D O I
10.1046/j.1365-8711.2001.04836.x
中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
A recent theoretical investigation by Terzieva & Herbst of linear carbon chains, C-n where n greater than or equal to 6, in the interstellar medium has shown that these species can undergo efficient radiative association to form the corresponding anions. An experimental study by Barckholtz, Snow & Bierbaum of these anions has demonstrated that they do not react efficiently with molecular hydrogen, leading to the possibility of detectable abundances of cumulene-type anions in dense interstellar and circumstellar environments. Here we present a series of electronic structure calculations which examine possible anionic candidates for detection in these media, namely the anion analogues of the previously identified interstellar cumulenes CnH and Cn-1CH2 and heterocumulenes CnO (where n = 2-10). The extraordinary electron affinities calculated for these molecules suggest that efficient radiative electron attachment could occur, and the large dipole moments of these simple (generally) linear molecules point to the possibility of detection by radio astronomy.
引用
收藏
页码:89 / 100
页数:12
相关论文
共 52 条
[41]   The electron affinities of C3O and C4O [J].
Rienstra-Kiracofe, JC ;
Ellison, GB ;
Hoffman, BC ;
Schaefer, HF .
JOURNAL OF PHYSICAL CHEMISTRY A, 2000, 104 (11) :2273-2280
[42]   The abundance of C(7)over-bar in diffuse clouds [J].
Ruffle, DP ;
Bettens, RPA ;
Terzieva, R ;
Herbst, E .
ASTROPHYSICAL JOURNAL, 1999, 523 (02) :678-682
[43]   A STUDY OF ELECTRON-ATTACHMENT TO C-70 USING THE FALP TECHNIQUE [J].
SPANEL, P ;
SMITH, D .
CHEMICAL PHYSICS LETTERS, 1994, 229 (03) :262-266
[44]   Photoelectron spectra of the C2nH- (n=1-4) and C2nD- (n=1-3) anions [J].
Taylor, TR ;
Xu, CS ;
Neumark, DM .
JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (24) :10018-10026
[45]   Radiative electron attachment to small linear carbon clusters and its significance for the chemistry of diffuse interstellar clouds [J].
Terzieva, R ;
Herbst, E .
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 2000, 201 (1-3) :135-142
[46]  
Tielens A. G. G. M., 1995, The Diffuse Interstellar Bands
[47]   Gas-phase electronic transitions of carbon chain anions coinciding with diffuse interstellar bands [J].
Tulej, M ;
Kirkwood, DA ;
Pachkov, M ;
Maier, JP .
ASTROPHYSICAL JOURNAL, 1998, 506 (01) :L69-L73
[48]   LABORATORY DETECTION OF PROPADIENYLIDENE, H2CCC [J].
VRTILEK, JM ;
GOTTLIEB, CA ;
GOTTLIEB, EW ;
KILLIAN, TC ;
THADDEUS, P .
ASTROPHYSICAL JOURNAL, 1990, 364 (02) :L53-L56
[49]   COUPLED-CLUSTER METHODS WITH NONITERATIVE TRIPLE EXCITATIONS FOR RESTRICTED OPEN-SHELL HARTREE-FOCK AND OTHER GENERAL SINGLE DETERMINANT REFERENCE FUNCTIONS - ENERGIES AND ANALYTICAL GRADIENTS [J].
WATTS, JD ;
GAUSS, J ;
BARTLETT, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (11) :8718-8733
[50]   Vibrational frequency prediction using density functional theory [J].
Wong, MW .
CHEMICAL PHYSICS LETTERS, 1996, 256 (4-5) :391-399