Rotational spectroscopy of malononitrile ...
Type de document :
Compte-rendu et recension critique d'ouvrage
Titre :
Rotational spectroscopy of malononitrile and its corresponding monoisocyanide isomer, isocyanoacetonitrile
Auteur(s) :
Motiienko, Roman [Auteur correspondant]
Physique Moléculaire aux Interfaces [PMI]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Armieieva, I. A. [Auteur]
Institute of Radio Astronomy of NAS of Ukraine [IRA]
Margules, L. [Auteur]
Physique Moléculaire aux Interfaces [PMI]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Alekseev, E. A. [Auteur]
Institute of Radio Astronomy of NAS of Ukraine [IRA]
Guillemin, J-C [Auteur]
Institut des Sciences Chimiques de Rennes [ISCR]
Physique Moléculaire aux Interfaces [PMI]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Armieieva, I. A. [Auteur]
Institute of Radio Astronomy of NAS of Ukraine [IRA]
Margules, L. [Auteur]
Physique Moléculaire aux Interfaces [PMI]
Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 [PhLAM]
Alekseev, E. A. [Auteur]
Institute of Radio Astronomy of NAS of Ukraine [IRA]
Guillemin, J-C [Auteur]
Institut des Sciences Chimiques de Rennes [ISCR]
Titre de la revue :
Astronomy and Astrophysics - A&A
Pagination :
A162
Éditeur :
EDP Sciences
Date de publication :
2019-03
ISSN :
0004-6361
Mot(s)-clé(s) en anglais :
astrochemistry
ISM molecules
submillimeter ISM
line identification
astronomical databases miscellaneous
ISM molecules
submillimeter ISM
line identification
astronomical databases miscellaneous
Discipline(s) HAL :
Chimie/Chimie théorique et/ou physique
Chimie/Autre
Planète et Univers [physics]/Astrophysique [astro-ph]
Chimie/Autre
Planète et Univers [physics]/Astrophysique [astro-ph]
Résumé en anglais : [en]
Context. Nitrites constitute almost 20% of the molecules observed in the interstellar medium, whereas only one dinitrile and one isocyanonitrile compound have been detected up to now. The lack of detections of such compounds ...
Lire la suite >Context. Nitrites constitute almost 20% of the molecules observed in the interstellar medium, whereas only one dinitrile and one isocyanonitrile compound have been detected up to now. The lack of detections of such compounds may be partially explained by the lack of accurate spectroscopic data on their rotational spectra. Aims. Two small seven-atom dinitriles, malononitrile NCCH2CN and isocyanoacetonitrile NCCH2NC, were chosen as target species for this study. For malononitrile the goal of the study is to systematize all the previous measurements, and to extend the measurements to the sub-millimeter wavelength range. The spectrum of isocyanoacetonitrile has not been studied before.Methods. The rotational spectra of the two molecules were measured in the frequency range 150-660 GHz using the Lille fast-scan spectrometer. The spectroscopic study was supported by high-level theoretical calculations on the structure of these molecules and their harmonic force field.Results. Accurate frequency predictions for malononitrile and isocyanoacetonitrile were calculated on the basis of the analysis of their rotational spectra. The influence of the spin statistics on the intensities of the lines of malononitrile was taken into account. The provided line lists and sets of molecular parameters meet the needs of astrophysical searches for the two molecules.Lire moins >
Lire la suite >Context. Nitrites constitute almost 20% of the molecules observed in the interstellar medium, whereas only one dinitrile and one isocyanonitrile compound have been detected up to now. The lack of detections of such compounds may be partially explained by the lack of accurate spectroscopic data on their rotational spectra. Aims. Two small seven-atom dinitriles, malononitrile NCCH2CN and isocyanoacetonitrile NCCH2NC, were chosen as target species for this study. For malononitrile the goal of the study is to systematize all the previous measurements, and to extend the measurements to the sub-millimeter wavelength range. The spectrum of isocyanoacetonitrile has not been studied before.Methods. The rotational spectra of the two molecules were measured in the frequency range 150-660 GHz using the Lille fast-scan spectrometer. The spectroscopic study was supported by high-level theoretical calculations on the structure of these molecules and their harmonic force field.Results. Accurate frequency predictions for malononitrile and isocyanoacetonitrile were calculated on the basis of the analysis of their rotational spectra. The influence of the spin statistics on the intensities of the lines of malononitrile was taken into account. The provided line lists and sets of molecular parameters meet the needs of astrophysical searches for the two molecules.Lire moins >
Langue :
Anglais
Vulgarisation :
Non
Source :
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