The hyperfine structure in the rotational spectrum of CF+ (Research Note)

被引:22
作者
Guzman, V. [1 ]
Roueff, E. [2 ,3 ]
Gauss, J. [4 ]
Pety, J. [1 ,5 ,6 ]
Gratier, P. [1 ]
Goicoechea, J. R. [7 ]
Gerin, M. [5 ,6 ]
Teyssier, D. [8 ]
机构
[1] Inst Radio Astron Millimetr, F-38406 St Martin Dheres, France
[2] CNRS, LUTH UMR 8102, F-92195 Meudon, France
[3] Observ Paris, F-92195 Meudon, France
[4] Johannes Gutenberg Univ Mainz, Inst Phys Chem, D-55099 Mainz, Germany
[5] Observ Paris, UMR 8112, LERMA LRA, F-75231 Paris, France
[6] Ecole Normale Super, F-75231 Paris, France
[7] CSIC INTA, Ctr Astrobiol, Madrid 28850, Spain
[8] ESA, European Space Astron Ctr, Madrid 28691, Spain
关键词
astrochemistry; ISM: clouds; ISM: molecules; ISM: individual objects: Horsehead nebula; radio lines: ISM; SPECTROSCOPIC PARAMETERS; FREQUENCIES; CONSTANTS;
D O I
10.1051/0004-6361/201220174
中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
Context. CF+ has recently been detected in the Horsehead and Orion Bar photo-dissociation regions. The J = 1-0 line in the Horsehead is double-peaked in contrast to other millimeter lines. The origin of this double-peak profile may be kinematic or spectroscopic. Aims. We investigate the effect of hyperfine interactions due to the fluorine nucleus in CF+ on the rotational transitions. Methods. We compute the fluorine spin rotation constant of CF+ using high-level quantum chemical methods and determine the relative positions and intensities of each hyperfine component. This information is used to fit the theoretical hyperfine components to the observed CF+ line profiles, thereby employing the hyperfine fitting method in GILDAS. Results. The fluorine spin rotation constant of CF+ is 229.2 kHz. This way, the double-peaked CF+ line profiles are well fitted by the hyperfine components predicted by the calculations. The unusually large hyperfine splitting of the CF+ line therefore explains the shape of the lines detected in the Horsehead nebula, without invoking intricate kinematics in the UV-illuminated gas.
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页数:2
相关论文
共 11 条
[1]   Quantitative prediction of gas-phase 13C nuclear magnetic shielding constants [J].
Auer, AA ;
Gauss, J ;
Stanton, JF .
JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (23) :10407-10417
[2]   Precise laboratory frequencies for the J←J-1 (J=1, 2, 3, 4) rotational transitions of 13CO [J].
Cazzoli, G ;
Puzzarini, C ;
Lapinov, AV .
ASTROPHYSICAL JOURNAL, 2004, 611 (01) :615-620
[3]   Rotational spectra of CF+ and 13CF+: accurate rest frequencies and spectroscopic parameters [J].
Cazzoli, G. ;
Cludi, L. ;
Puzzarini, C. ;
Gauss, J. .
ASTRONOMY & ASTROPHYSICS, 2010, 509
[4]   Perturbation-dependent atomic orbitals for the calculation of spin-rotation constants and rotational g tensors [J].
Gauss, J ;
Ruud, K ;
Helgaker, T .
JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (07) :2804-2812
[5]   The IRAM-30m line survey of the Horsehead PDR I. CF+ as a tracer of C+ and as a measure of the fluorine abundance [J].
Guzman, V. ;
Pety, J. ;
Gratier, P. ;
Goicoechea, J. R. ;
Gerin, M. ;
Roueff, E. ;
Teyssier, D. .
ASTRONOMY & ASTROPHYSICS, 2012, 543
[6]   Discovery of interstellar CF+ [J].
Neufeld, D. A. ;
Schilke, P. ;
Menten, K. M. ;
Wolfire, M. G. ;
Black, J. H. ;
Schuller, F. ;
Mueller, H. S. P. ;
Thorwirth, S. ;
Guesten, R. ;
Philipp, S. .
ASTRONOMY & ASTROPHYSICS, 2006, 454 (02) :L37-L40
[7]   SPECTROSCOPIC PROPERTIES OF THE X SIGMA-1(+) AND A PI-3 ELECTRONIC STATES OF CF+, SIF+, AND CCL+ BY MULTIREFERENCE CONFIGURATION-INTERACTION [J].
PETERSON, KA ;
WOODS, RC ;
ROSMUS, P ;
WERNER, HJ .
JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (03) :1889-1894
[8]   Quantum-chemical calculation of spectroscopic parameters for rotational spectroscopy [J].
Puzzarini, Cristina ;
Stanton, John F. ;
Gauss, Juergen .
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 2010, 29 (02) :273-367
[9]   A 5TH-ORDER PERTURBATION COMPARISON OF ELECTRON CORRELATION THEORIES [J].
RAGHAVACHARI, K ;
TRUCKS, GW ;
POPLE, JA ;
HEADGORDON, M .
CHEMICAL PHYSICS LETTERS, 1989, 157 (06) :479-483
[10]  
Townes C. H., 1975, Microwave spectroscopy