Reference data for propane-1-thiol and propane-2-thiol

Name: Reference data for propane-1-thiol and propane-2-thiol
Keywords: Microwave spectroscopy; ISM; complex organic chemistry

Song, Wentao ; Maris, Assimo ; Rivilla, Victor M. ; Sanz-Novo, Miguel ; Jimenez-Serra, Izaskun ; Evangelisti, Luca ; Melandri, Sonia (2026) Reference data for propane-1-thiol and propane-2-thiol. University of Bologna. DOI 10.6092/unibo/amsacta/9041. [Dataset]

Save citation

Cited by

Full text available as:

[thumbnail of Reference data for propane-1-thiol and propane-2-thiol]

Archive (Reference data for propane-1-thiol and propane-2-thiol)
Repository staff only until 30 June 2027.
License: Creative Commons: Attribution-Noncommercial-No Derivative Works 4.0 (CC BY-NC-ND 4.0)
Download (141MB) | Request a copy

Abstract

The dataset reports reference data for propane-1-thiol and propane-2-thiol. It includes theoretical calculations, potential-energy scans, final spectroscopic-fit files, isotopologue data, and simulated rotational spectra at different temperatures. The fitting and prediction files are provided to support reproduction and reuse of the spectroscopic analysis.

Abstract

Document type

Dataset

Creators

Creators	ORCID	Affiliation	ROR
Song, Wentao	0000-0002-3267-710X	University of Bologna	01111rn36
Maris, Assimo	0000-0003-2644-0023	University of Bologna	01111rn36
Rivilla, Victor M.	0000-0002-2887-5859	Centro de Astrobiología (CAB)	038szmr31
Sanz-Novo, Miguel	0000-0001-9629-0257	Centro de Astrobiología (CAB)	038szmr31
Jimenez-Serra, Izaskun	0000-0003-4493-8714	Centro de Astrobiología (CAB)	038szmr31
Evangelisti, Luca	0000-0001-9119-1057	University of Bologna	01111rn36
Melandri, Sonia	0000-0002-0410-5833	University of Bologna	01111rn36