Solid-State Isomerization and Infrared Band Strengths of Two Conformational Isomers of Cyclopropanecarboxaldehyde, A Candidate Interstellar Molecule

ACS Earth Space Chem. 2019;3(7):1182-1188. doi: 10.1021/acsearthspacechem.9b00058. Epub 2019 May 17.

Abstract

At least a dozen of the known interstellar molecules possess a formyl group (HCO), suggesting that other such species exist and await discovery in the interstellar medium. Here we examine the mid-infrared (mid-IR) spectrum and selected physical properties of one such candidate, cyclopropanecarboxaldehyde, in amorphous ices. Mid-IR transmission spectra of solid cyclopropanecarboxaldehyde are presented for the first time and used to determine the cis-to-trans ratio of conformational isomers present in amorphous samples. The measured ratio is compared to one from an electron-diffraction study of the gas-phase compound. The cis-to-trans isomerization in the amorphous compound is followed and the activation energy is determined. The first IR band strengths for solid cyclopropanecarboxaldehyde are reported. Also presented are refractive indices and densities at 15 K for amorphous forms of two related compounds, cyclopropane and cyclopropanemethanol. Two low-temperature reactions for the interstellar formation of cyclopropanecarboxaldehyde are briefly described.

Keywords: IR spectroscopy; amorphous solids; astrochemistry; band strengths; ices.