Absorption cross section of gas phase isoprene in the infrared-visible range

Spectrochim Acta A Mol Biomol Spectrosc. 2025 Jan 2:330:125667. doi: 10.1016/j.saa.2024.125667. Online ahead of print.

Abstract

We have recorded the gas phase spectrum of isoprene at room temperature from the mid-infrared range and into the visible range (600 cm-1 to 17050 cm-1). Absorption spectra were obtained by Fourier transform infrared, conventional dispersion ultraviolet-visible-near-infrared and cavity ring-down spectroscopy to cover the entire range with a resolution comparable to that of the instruments on the James Webb Space Telescope. We have assigned the CH-stretching fundamental and overtone bands corresponding to the ΔvCH=1-6 transitions based on anharmonic vibrational calculations using normal mode and local mode models, for the lower- and higher-energy regions, respectively. We have determined accurate absolute intensities of the observed CH-stretching regions and compare with existing experimental values and with theoretical results. The accuracy of our absolute band intensity is about 2% in the fundamental region and about 10% in the 6 orders of magnitude weaker highest overtone region. Our spectrum can facilitate the detection and possibly quantification of isoprene in planetary atmospheres.

Keywords: Bio-signature; Cavity ringdown spectroscopy; Fundamental and overtone transitions; JWST; Local mode models; Vibrational band intensities.