Rotational and vibrational spectroscopy of 1-cyanoadamantane and 1-isocyanoadamantane

Abstract

Because of their high stability, the presence of diamond-type molecules has long been suspected in the interstellar medium, a hypothesis supported by the extraction of diamond nanocrystal from some meteorites. We report the rotational and vibrational investigation of two polar derivatives of adamantane (C₁₀H₁₆), 1-cyanoadamantane (C₁₀H₁₅–CN) and 1-isocyanoadamantane (C₁₀H₁₅–NC), using room temperature gas phase absorption spectroscopy. Pure rotational spectra have been recorded at millimeter wavelengths (75–220 GHz) while vibrational spectra were obtained in the far- and mid-infrared domains (50–3500 cm$^{-1}$). Quantum chemical calculations have been performed on these two $C_{3v}$ rotors to support the spectral analysis enabling the assignment, for both species, of more than 7000 pure rotational transitions in the ground (A$_1$ symmetry) and first vibrationally excited (E symmetry) states, and of most of the infrared active bands. The pure rotational lines were fit to their experimental accuracy using a symmetric-top Hamiltonian. Our study provides all necessary information for an active search of these species in space.

Olivia Chitarra

PhD student

Former PhD student

Marie-Aline Martin-Drumel

Researcher

My research interests focus on molecular spectroscopy of stable molecules and reactive species, and its applications for astrophysics and physical-chemistry.

Zachary Buchanan

Chateaubriand Fellow

Zachary was a Chateaubriand Fellow at ISMO in 2019.

Olivier Pirali

Director of Research

My research interests includes high resolution molecular spectroscopy, laboratory astrophysics, and THz generation.