Spectroscopy Databases


This is a collection of catalogs, databases and textbooks with spectroscopy data on (mostly diatomic) molecules. It is a work in progress and if you would like to add references related to this topic, please contact us.


General Resources on Spectroscopy Data on Molecules

VIBFREQ1295: A New Database for Vibrational Frequency Calculations

The Journal of Physical Chemistry A 126, 4100–4122 (2022)
Molecular diatomic spectroscopy data

WIREs Computational Molecular Science 11 (2021)
The diatomic molecular spectroscopy database

Journal of Cheminformatics 12 (2020)
MoLLIST: Molecular Line Lists, Intensities and Spectra

Journal of Quantitative Spectroscopy and Radiative Transfer 240, 106687 (2020)
The HITRAN2016 molecular spectroscopic database

Journal of Quantitative Spectroscopy and Radiative Transfer 203, 3–69 (2017)
The ExoMol database: Molecular line lists for exoplanet and other hot atmospheres

Journal of Molecular Spectroscopy 327, 73–94 (2016)
NIST Recommended Rest Frequencies for Observed Interstellar Molecular Microwave Transitions—2002 Revision

Journal of Physical and Chemical Reference Data 33, 177–355 (2004)
SUBMILLIMETER, MILLIMETER, AND MICROWAVE SPECTRAL LINE CATALOG

Journal of Quantitative Spectroscopy and Radiative Transfer 60, 883–890 (1998)
NIST Chemistry WebBook, NIST Standard Reference Database 69

National Institute of Standards and Technology (1997)

Websites

Peter Bernath : https://bernath.uwaterloo.ca/molecularlists.php
MOOG : http://www.as.utexas.edu/~chris/lab.html
Splatalogue : https://splatalogue.online/advanced1.php
Cologne Database for Molecular Spectroscopy : https://cdms.astro.uni-koeln.de
Toyama Microwave Atlas for spectroscopists and astronomers : http://moodle.sci.u-toyama.ac.jp/atlas/
Nuclear Electromagnetic Moments : https://www-nds.iaea.org/nuclearmoments/
Databases for Atomic and Plasma Physics : https://plasma-gate.weizmann.ac.il/directories/databases/

Books

Spectra of atoms and molecules

Oxford University Press (2016)
The Spectra and Dynamics of Diatomic Molecules

Elsevier (2004)
Rotational Spectroscopy of Diatomic Molecules

Cambridge University Press (2003)
Reference Data on Atoms, Molecules, and Ions

Springer Berlin Heidelberg (1985)
Molecular Spectra and Molecular Structure

Springer (US) (1979)
Spectroscopic Data (Homonuclear Diatomic Molecules)

Springer US (1976)
Spectroscopic Data Volume 1 Part A/B (Heteronuclear Diatomic Molecules)

Plenum Data Company (1975)