Rotational and vibrational spectroscopy of 1-cyanoadamantane and 1-isocyanoadamantane
نویسندگان
چکیده
Because of their high stability, the presence diamond-type molecules has long been suspected in interstellar medium, a hypothesis supported by extraction diamond nanocrystal from some meteorites. We report rotational and vibrational investigation two polar derivatives adamantane (C10H16), 1-cyanoadamantane (C10H15–CN) 1-isocyanoadamantane (C10H15–NC), using room temperature gas phase absorption spectroscopy. Pure spectra have recorded at millimeter wavelengths (75–220 GHz) while were obtained far- mid-infrared domains (50–3500 cm−1). Quantum chemical calculations performed on these C3v rotors to support spectral analysis enabling assignment, for both species, more than 7000 pure transitions ground (A1 symmetry) first vibrationally excited (E states, most infrared active bands. The lines fit experimental accuracy symmetric-top Hamiltonian. Our study provides all necessary information an search species space.
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ژورنال
عنوان ژورنال: Journal of Molecular Spectroscopy
سال: 2021
ISSN: ['0022-2852', '1096-083X']
DOI: https://doi.org/10.1016/j.jms.2021.111468