Vibrational spectra of formic acid and its dimer: I. Spectroscopic accuracy through matrix-isolation IR spectroscopy and anharmonic computations

Physical Chemistry Chemical Physics 2026 Open access

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Authors: Dennis F. Dinu, Lukas Meinschad, Jonas Schlagin, Vincent Enders, Maren Podewitz, Dominik Stolzenburg, Guntram Rauhut, Thomas Loerting, Hinrich Grothe, Klaus Roman Liedl
DOI: 10.1039/d6cp01818a
Cited by: 1
References: 173

Abstract

), using both vibrational perturbation theory (VPT2) and vibrational configuration interaction theory (VCI). Our results reconnect the diverse threads of formic acid IR spectroscopy and establish a framework for interpreting matrix-, isotope-, and cluster-induced frequency shifts.

Fields of Study & Subjects

Carbon dioxide utilization in catalysis Food Chemistry and Fat Analysis Chemical Thermodynamics and Molecular Structure

Publication details

Journal / source
Physical Chemistry Chemical Physics
Publisher
Royal Society of Chemistry (RSC)
Volume
28
Issue
31
Pages
19068–19088
Publication date
1 January 2026
Language
EN