Spectroscopy Databases


This is a collection of catalogs, databases and textbooks with spectroscopy data on molecules and atoms. 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)
The HITRAN2020 molecular spectroscopic database

Journal of Quantitative Spectroscopy and Radiative Transfer 277, 107949 (2022)
2021 Census of Interstellar, Circumstellar, Extragalactic, Protoplanetary Disk, and Exoplanetary Molecules

The Astrophysical Journal Supplement Series 259, 30 (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 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)

General Resources on Spectroscopy Data on Atoms

NIST Atomic Spectra Database

National Institute of Standards and Technology, Gaithersburg, MD (2023)
Handbook of Basic Atomic Spectroscopic Data

Journal of Physical and Chemical Reference Data 34, 1559–2259 (2005)

Websites

The MPI-Mainz UV/VIS Spectral Atlas of Gaseous Molecules of Atmospheric Interest : https://www.uv-vis-spectral-atlas-mainz.org
Virtual Atomic and Molecular Data Centre : https://portal.vamdc.eu
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/
Jet Propulsion Laboratory Molecular Spectroscopy Catalog : https://spec.jpl.nasa.gov

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)
Tables of molecular vibrational frequencies. Consolidated volume II

J. Phys. Chem. Ref. Data 6, 993–1102 (1977) (1977)
Spectroscopic Data (Homonuclear Diatomic Molecules)

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

Plenum Data Company (1975)
Tables of Molecular Vibrational Frequencies, Consolidated Volume I

Commerce Department, National Institute of Standards and Technology (1972)