THE POSSIBLE INTERSTELLAR ANION CH2CN-: SPECTROSCOPIC CONSTANTS, VIBRATIONAL FREQUENCIES, AND OTHER CONSIDERATIONS

被引:39
作者
Fortenberry, Ryan C. [1 ]
Crawford, T. Daniel [2 ]
Lee, Timothy J. [1 ]
机构
[1] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA
[2] Virginia Tech, Dept Chem, Blacksburg, VA 24061 USA
基金
美国国家科学基金会;
关键词
astrochemistry; infrared: ISM; ISM: lines and bands; ISM: molecules; molecular data; radio lines: ISM; ACETALDEHYDE ENOLATE ANION; BASIS-SET CONVERGENCE; QUARTIC FORCE-FIELDS; GAS-PHASE; AUTODETACHMENT SPECTROSCOPY; ASTRONOMICAL DETECTION; EXCITED-STATES; MICROWAVE; ATOMS; ISOTOPOLOGUES;
D O I
10.1088/0004-637X/762/2/121
中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
The A B-1(1) <- (X) over tilde (1)A' excitation into the dipole-bound state of the cyanomethyl anion (CH2CN-) has been hypothesized as the carrier for one diffuse interstellar band. However, this particular molecular system has not been detected in the interstellar medium even though the related cyanomethyl radical and the isoelectronic ketenimine molecule have been found. In this study, we are employing the use of proven quartic force fields and second-order vibrational perturbation theory to compute accurate spectroscopic constants and fundamental vibrational frequencies for (X) over tilde (1)A' CH2CN- in order to assist in laboratory studies and astronomical observations.
引用
收藏
页数:6
相关论文
共 72 条
[1]  
Agundez M., 2010, ASTRON ASTROPHYS, V517, pL2
[2]  
Allen W. D., 2005, PROGRAM
[3]   The formation of the stable radicals •CH2CN, CH3•CHCN and •CH2CH2CN from the anions -CH2CN, CH3-CHCN and -CH2CH2CN in the gas phase.: A joint experimental and theoretical study [J].
Andreazza, Hayley J. ;
Fitzgerald, Mark ;
Bowie, John H. .
ORGANIC & BIOMOLECULAR CHEMISTRY, 2006, 4 (12) :2466-2472
[4]  
[Anonymous], APJ
[5]   Candidates for U-lines at 1377 and 1394 MHz in IRC+10216: ab initio molecular orbital study [J].
Aoki, K .
CHEMICAL PHYSICS LETTERS, 2000, 323 (1-2) :55-58
[6]   High-resolution Fourier-transform infrared spectroscopy of the ν6 and Coriolis perturbation allowed ν10 modes of ketenimine [J].
Bane, Michael K. ;
Robertson, Evan G. ;
Thompson, Christopher D. ;
Appadoo, Dominique R. T. ;
McNaughton, Don .
JOURNAL OF CHEMICAL PHYSICS, 2011, 135 (22)
[7]   Accurate equilibrium structures for small polyatomic molecules, radicals and carbenes [J].
Botschwina, P .
MOLECULAR PHYSICS, 2005, 103 (10) :1441-1460
[8]   Detection of the carbon chain negative ion C8H- in TMC-1 [J].
Brunken, S. ;
Gupta, H. ;
Gottlieb, C. A. ;
McCarthy, M. C. ;
Thaddeus, P. .
ASTROPHYSICAL JOURNAL, 2007, 664 (01) :L43-L46
[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]   ASTRONOMICAL DETECTION OF H2CCC [J].
CERNICHARO, J ;
GOTTLIEB, CA ;
GUELIN, M ;
KILLIAN, TC ;
PAUBERT, G ;
THADDEUS, P ;
VRTILEK, JM .
ASTROPHYSICAL JOURNAL, 1991, 368 (02) :L39-L41