Last Update:
June 2, 2012

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Brief Introduction to H3+

Royal Society Discussion Meeting

Spectroscopic Databases

Online Intensity Calculator

Links to H3+ Related Sites

Contact Information:
McCall Group
Department of Chemistry & Department of Astronomy
600 S. Mathews Ave.
Urbana, IL 61801
Phone: (217) 244-3993
FAX: (217) 244-3186
www: bjm.scs.uiuc.edu

Oka Group
Department of Chemistry
5735 S. Ellis Ave.
Chicago, IL 60637
Phone: (773) 702-7262
FAX: (773) 702-0805
www: fermi.uchicago.edu
Spectroscopic Databases

Since the initial detection of its infrared spectrum in 1980, there have been 18 laboratory studies of the H3+ spectrum, reporting approximately 900 transitions from a variety of fundamental, overtone, combination, and hot bands. Recently (C. M. Lindsay and B. J. McCall, J. Mol. Spectrosc. 210, 60-83 (2001)), the results of these two decades of labor have been carefully re-evaluated and compiled into a database of experimental transitions. In that work, every reported transition of H3+ was reviewed for reliability in frequency measurement (and uncertainty) and was reassigned based on a comparison with the most accurate theoretical calculations available. Additionally, a complete labeling scheme was developed for all energy levels below 9000 cm-1, which alleviated the confusion in assigning H3+ transitions that results from the difficulty of labeling the ro-vibrational energy levels of a molecule with such strong mixing. This comprehensive linelist was then used to produce a set of ~500 experimentally determined energy levels, which facilitates a direct comparison with theoretical calculations and the prediction of the "forbidden'' pure rotation spectrum of H3+.

Below are the electronic versions of the transition and energy data. These databases will corrected should any errors be identified in the future and updated to include additional experimental data as it becomes available. Below the database links is a history of the database, keeping track of changes made to either of them. Figures and other supplemental material pertaining to this study is available here.

Here are the databases:

  • Experimentally Observed Transitions of H3+.
  • Experimentally Determined Energy Levels of H3+.

    History of Changes Made to the Databases:
  • 5/03: Removed extraneous commas from "Assign" column in table of transitions.
  • 5/03: Added new energy levels and transitions from Gottfried et al., 2003 (Got03)
  • 2/03: Corrected databases (see the readme file for complete list of updates).
  • 11/01: Initial publication of databases.