Empirical rovibrational energy levels for carbonyl sulphide
Even Xu, Jonathan Tennyson
Abstract
An exhaustive review of the measured rovibrational transitions of the {16}^O^{12} C^{32} S isotopologue of carbonyl sulphide is undertaken. A comprehensive analysis of data from 100 papers is carried out using a consistent set of harmonic oscillator quantum numbers which are recommended for future studies. A corrected compilation of 14,071 OCS transitions is then subjected to a Measured Active Rotational-Vibrational Energy Levels (MARVEL) analysis, resulting in 5729 empirical energy levels. The uncertainties corresponding to these levels are analysed using different procedures; the newly implemented bootstrap method is used to provide final uncertainties.
Topics & Concepts
Rotational–vibrational spectroscopyIsotopologueQuantum numberSet (abstract data type)Energy (signal processing)Quantum chemicalHarmonic oscillatorAtomic physicsChemistryComputational physicsComputational chemistryPhysicsComputer scienceQuantum mechanicsMoleculeExcited stateProgramming languageAtmospheric Ozone and ClimateSpectroscopy and Laser ApplicationsAtmospheric chemistry and aerosols