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THz spectroscopy and first ISM detection of excited torsional states of <sup>13</sup> C-methyl formate

DOI:10.1051/0004-6361/201322937 期刊:Astronomy & Astrophysics 出版年份:2014 更新时间:2025-09-23 15:23:52
摘要: Context. An astronomical survey of interstellar molecular clouds needs a previous analysis of the spectra in the microwave and sub-mm energy range of organic molecules to be able to identify them. We obtained very accurate spectroscopic constants in a comprehensive laboratory analysis of rotational spectra. These constants can be used to predict the transitions frequencies very precisely that were not measured in the laboratory. Aims. We present the experimental study and its theoretical analysis for two 13C-methyl formate isotopologues to detect these two isotopologues for the first time in their excited torsional states, which lie at 130 cm?1 (200 K) in Orion-KL. Methods. New spectra of HCOO13CH3 (13C2) methyl formate were recorded with the mm- and submm-wave spectrometer in Lille from 50 to 940 GHz. A global fit for vt = 0 and 1 was accomplished with the BELGI program to reproduce the experimental spectra with greater accuracy. Results. We analysed 5728 and 2881 new lines for vt = 0 and 1 for HCOO13CH3. These new lines were globally fitted with 846 previously published lines for vt = 0. In consequence, 52 parameters of the RAM Hamiltonian were accurately determined and the value of the barrier height (V3 = 369.93168(395) cm?1) was improved. We report the detection of the first excited torsional states (vt = 1) in Orion-KL for the 13C2 and 13C1 methyl formate based on the present analysis and previously published data. We provide column densities, isotopic abundances, and vibrational temperatures for these species. Conclusions. Following this work, accurate prediction can be provided. This permits detecting 135 features of the first excited torsional states of 13C-methyl formate isotopologues in Orion-KL in the 80?280 GHz frequency range, without missing lines.
作者: I. Haykal,M. Carvajal,B. Tercero,I. Kleiner,A. López,J. Cernicharo,R. A. Motiyenko,T. R. Huet,J. C. Guillemin,L. Margulès
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To study the experimental and theoretical analysis of two 13C-methyl formate isotopologues to detect them for the first time in their excited torsional states in Orion-KL.

The global fit of 9455 lines for HCOO13CH3 improved the determination of 52 parameters, including the barrier height V3. Accurate predictions enabled the first detection of excited torsional states of 13C-methyl formate in Orion-KL, with 135 features identified. This reduces the number of unidentifed lines in spectral surveys and aids in future astronomical discoveries. The vibrational temperature indicates collisional population of excited states.

The study is limited to the specific isotopologues of methyl formate and the frequency range up to 940 GHz. The accuracy of line frequencies can be affected by blending or weak signals. The astronomical detection relies on LTE assumptions due to lack of collisional rates, and vibrational temperatures are lower limits due to spatial coincidence assumptions.

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