Terahertz and mid-infrared spectra of cold formic acid aerosol particles

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dc.contributor.authorRuzi, Men_AU
dc.contributor.authorAuchettl, Ren_AU
dc.contributor.authorEnnis, Cen_AU
dc.contributor.authorAppadoo, DRTen_AU
dc.contributor.authorRobertson, EGen_AU
dc.date.accessioned2025-10-24T03:35:33Zen_AU
dc.date.available2025-10-24T03:35:33Zen_AU
dc.date.issued2018-08-18en_AU
dc.date.statistics2025-10-24en_AU
dc.description.abstractFourier transform infrared spectra of formic acid aerosol particles in situ generated in a collisional cooling cell at temperatures ranging between 90 and 210 K are recorded in the mid-infrared and THz/far-infrared regions. Infrared spectroscopic features are used to identify the formic acid dimer above 200 K, the crystalline β1 phase in the 110-200 K temperature range, and amorphous solid formic acid at ∼90 K. Density functional calculations of discrete clusters and the full periodic β1 crystalline structure help to assign the low wavenumber intermolecular modes by comparison with experimental far IR and Raman data from the literature. Refractive indices of the formic acid crystal in the mid-IR range are retrieved. These data are essential for radiative transfer modeling of solid formic acid condensed in the terrestrial atmosphere. THz/far IR spectra, in addition to the well documented mid-infrared spectra, may be useful for the identification of solid formic acid in astrophysical environments such as the young stellar object W33A. © 2025 American Chemical Society.en_AU
dc.description.sponsorshipThis work was supported by the Australian Synchrotron through beam time access and Australia’s National Computational Infrastructure (NCI) via access to the computational facility (grant k02). We kindly thank Ms. Ruth Plathe at the THz/Far-IR beamline for her technical support. We thank Dr. Bruce Yoder and Professor Ruth Signorell for providing the 78 K refractive indices data of formic acid. We are also indebted to Professor Ajit J. Thakkar and Dr. F. Ito for providing their calculations related to formic acid clusters. We acknowledge the helpful discussions with Professor So Hirata and Dr. Jan Kubelka regarding the C═O stretch spectral features. M. Ruzi thanks La Trobe University for funding via a Postgraduate Scholarship. R.A. thanks AINSE Ltd. for financial assistance via a postgraduate research award, an Australian Government Research Training Program Scholarship.en_AU
dc.identifier.citationRuzi, M., Auchettl, R., Ennis, C., Appadoo, D. R. T., & Robertson, E. G. (2018). Terahertz and mid-infrared spectra of cold formic acid aerosol particles. ACS Earth and Space Chemistry, 2(10), 1011–1021. doi:10.1021/acsearthspacechem.8b00085en_AU
dc.identifier.issn2472-3452en_AU
dc.identifier.issue10en_AU
dc.identifier.journaltitleACS Earth and Space Chemistryen_AU
dc.identifier.pagination1011-1021en_AU
dc.identifier.urihttps://doi.org/10.1021/acsearthspacechem.8b00085en_AU
dc.identifier.urihttps://apo.ansto.gov.au/handle/10238/16644en_AU
dc.identifier.volume2en_AU
dc.languageEnglishen_AU
dc.language.isoenen_AU
dc.publisherAmerican Chemical Societyen_AU
dc.subjectAerosolsen_AU
dc.subjectInfrared spectraen_AU
dc.subjectOrganic acidsen_AU
dc.subjectQuantum mechanicsen_AU
dc.subjectSpectroscopyen_AU
dc.subjectInterstellar spaceen_AU
dc.subjectFormic aciden_AU
dc.subjectDensity functional methoden_AU
dc.subjectAmbient temperatureen_AU
dc.titleTerahertz and mid-infrared spectra of cold formic acid aerosol particlesen_AU
dc.typeJournal Articleen_AU
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