Protonated oxirane characterization

DOI

An accurate spectroscopic characterization of protonated oxirane has been carried out by means of state-of-the-art computational methods and approaches. The calculated spectroscopic parameters from our recent computational investigation of oxirane together with the corresponding experimental data available were used to assess the accuracy of our predicted rotational and IR spectra of protonated oxirane. We found an accuracy of about 10cm^-1^ for vibrational transitions (fundamentals as well as overtones and combination bands) and, in relative terms, of 0.1% for rotational transitions. We are therefore confident that the spectroscopic data provided herein are a valuable support for the detection of protonated oxirane not only in Titan's atmosphere but also in the interstellar medium.

Identifier
DOI http://doi.org/10.26093/cds/vizier.17920118
Source https://dc.g-vo.org/rr/q/lp/custom/CDS.VizieR/J/ApJ/792/118
Related Identifier https://cdsarc.cds.unistra.fr/viz-bin/cat/J/ApJ/792/118
Related Identifier https://vizier.cds.unistra.fr/viz-bin/VizieR-2?-source=J/ApJ/792/118
Metadata Access http://dc.g-vo.org/rr/q/pmh/pubreg.xml?verb=GetRecord&metadataPrefix=oai_b2find&identifier=ivo://CDS.VizieR/J/ApJ/792/118
Provenance
Creator Puzzarini C.; Ali A.; Biczysko M.; Barone V.
Publisher CDS
Publication Year 2017
Rights https://cds.unistra.fr/vizier-org/licences_vizier.html
OpenAccess true
Contact CDS support team <cds-question(at)unistra.fr>
Representation
Resource Type Dataset; AstroObjects
Discipline Astrophysics and Astronomy; Natural Sciences; Observational Astronomy; Physics; Solar System Astronomy; Stellar Astronomy