Empirical rovibrational energy levels for carbon disulfide

TL;DR

This paper presents a comprehensive empirical analysis of rovibrational energy levels for carbon disulfide's 12C32S2 isotopologue, utilizing extensive experimental data and the MARVEL method to generate a validated energy level list.

Contribution

It provides the first large-scale, validated set of empirical rovibrational energy levels for 12C32S2 using the MARVEL approach, improving upon previous line lists.

Findings

Generated 4279 empirical energy levels from 8714 transitions.

Identified discrepancies with the NASA Ames line list, especially for high v2 quantum states.

Validated the consistency of the energy levels across multiple sources.

Abstract

An analysis of the measured rovibrational transitions is carried out for the 12C32S2 isotopologue of carbon disulfide. Data from 21 sources is extracted and validated using a consistent set of standard linear molecule quantum numbers. A corrected list of 8714 CS2 transitions forms the input to a Measured Active Rotational-Vibrational Energy Levels (MARVEL) procedure, generating 4279 empirical rovibrational energy levels across 138 bands of 12C32S2. Results are compared to the recent NASA Ames line list. While the agreement is generally good, issues are identified with the energy levels of some states, notably those with high values of the v2 bending quantum number.