Overcoming the out-of-plane bending issue in an aromatic hydrocarbon: the anharmonic vibrational frequencies of c-(CH)C<sub>3</sub>H<sub>2</sub><sup>+</sup>
Brent R. Westbrook, Weston A. Del Rio, Timothy J. Lee, Ryan C. Fortenberry
Abstract
Two vibrational frequencies for this molecule correlate with observed but unknown interstellar infrared emission features.
Topics & Concepts
AnharmonicityQuartic functionPhysicsField (mathematics)BendingPlane (geometry)Potential energy surfaceInfraredHydrocarbonBasis setBasis (linear algebra)Computational chemistryMoleculeChemistryQuantum mechanicsThermodynamicsGeometryMathematicsOrganic chemistryPure mathematicsMolecular Spectroscopy and StructureAstrophysics and Star Formation StudiesAdvanced Chemical Physics Studies