Spectral analyses of trans- and cis-DOCO transients via comb spectroscopy

TL;DR

This study employs time-resolved comb spectroscopy and theoretical models to analyze rovibrational spectra of transient DOCO radicals, providing insights into their spectroscopy and reaction dynamics.

Contribution

It introduces a combined experimental and theoretical approach for high-resolution spectroscopy of transient polyatomic radicals.

Findings

Successful spectral analysis of isotopologues of DOCO radicals

Comparison of perturbation and variational theoretical methods

Discussion of advantages and challenges in transient molecule spectroscopy

Abstract

We use time-resolved direct frequency comb spectroscopy in the mid-infrared to obtain high-resolution rovibrational spectra of products produced from the OD+CO reaction. In this work, we present spectral analyses for isotopologues of the transient DOCO radicals from this reaction in the OD stretch region. The analyses were performed with aid of two different theoretical approaches based on both perturbation theory and variational calculations used for prediction of rovibrational spectra of polyatomic molecules. We discuss the advantages and challenges of our current approach for studying spectroscopy and dynamics of transient molecules.