NIST Triatomic Spectral Database - SRD 117

This data base contains the rotational spectral lines observed and reported in the open literature for 55 triatomic molecules through June 1976. The isotopic molecular species, assigned quantum numbers, observed frequency, estimated measurement uncertainty and reference are given for each transition reported. In addition to correcting a number of misprints and errors in the literature cited, the spectral lines for approximately 15 molecules have been refit to produce a comprehensive and consistent analysis of all the data extracted from various literature sources. Both measured and predicted transition frequencies are listed for several isotopic forms of HCN, H2O, H2S, and OCS. The derived molecular properties, such as rotational and centrifugal distortion constants, hyperfine structure constants, electric dipole moments, and rotational g-factors are listed with one standard deviation uncertainty for all values.

Data and Resources

Field Value
accessLevel public
accrualPeriodicity irregular
bureauCode {006:55}
catalog_@context https://project-open-data.cio.gov/v1.1/schema/data.json
catalog_conformsTo https://project-open-data.cio.gov/v1.1/schema
catalog_describedBy https://project-open-data.cio.gov/v1.1/schema/catalog.json
identifier FDB59097466C5200E043065706813E54116
landingPage https://www.nist.gov/pml/triatomic-spectral-database
language {en}
license https://www.nist.gov/open/license
modified 2003-07-01 00:00:00
programCode {006:052}
publisher National Institute of Standards and Technology
references {http://physics.nist.gov/PhysRefData/MolSpec/Triatomic/Html/intro.html}
resource-type Dataset
source_datajson_identifier true
source_hash ac309009db585af31bcf9f8e689c1f1244847be1
source_schema_version 1.1
theme {"Atomic / molecular / quantum","Standards:Reference data","Chemistry:Analytical chemistry"}
Groups
  • AmeriGEOSS
  • National Provider
  • North America
Tags
  • amerigeo
  • amerigeoss
  • ckan
  • electric-dipole-moments
  • geo
  • geoss
  • hyperfine-structure
  • microwave-spectra
  • molecular-structure
  • national
  • north-america
  • rotational-constants
  • rotational-spectra
  • triatomic-molecules
  • united-states
isopen False
license_id other-license-specified
license_title other-license-specified
maintainer Francis J. Lovas
maintainer_email francis.lovas@nist.gov
metadata_created 2025-11-20T14:37:27.030674
metadata_modified 2025-11-20T14:37:27.030679
notes This data base contains the rotational spectral lines observed and reported in the open literature for 55 triatomic molecules through June 1976. The isotopic molecular species, assigned quantum numbers, observed frequency, estimated measurement uncertainty and reference are given for each transition reported. In addition to correcting a number of misprints and errors in the literature cited, the spectral lines for approximately 15 molecules have been refit to produce a comprehensive and consistent analysis of all the data extracted from various literature sources. Both measured and predicted transition frequencies are listed for several isotopic forms of HCN, H2O, H2S, and OCS. The derived molecular properties, such as rotational and centrifugal distortion constants, hyperfine structure constants, electric dipole moments, and rotational g-factors are listed with one standard deviation uncertainty for all values.
num_resources 1
num_tags 15
title NIST Triatomic Spectral Database - SRD 117