The Huber & Herzberg collation of data of spectroscopic constants for small molecules (e.g. diatomics) from 1979 continues to be relied upon even almost 40 years later for numerous practical applications. The book has been cited more than 14,000 times, and it still cited approximately once a day internationally for applications as diverse as environmental studies, industrial processes, astrophysics, cold molecules, quantum computers etc. It has been digitised, but not updated, by the National Institute of Standards and Technology (NIST). It has, however, been 50 years since the original production of this data and it would be extremely useful to produce an updated version of this database incorporating the vast increase in experimental and, where necessary, theoretical knowledge on molecular constants.
In this project, we focus on finding the most up-to-date spectroscopic constants for given molecules. In this context, by spectroscopic constants,we mean quantities like rotational constants, equilibrium bond lengths, vibrational frequencies etc. This is a more high level description of molecular spectroscopy than from a MARVEL project; this data is generally used by a different, more diverse audience. In a DC project, there will be an increased number of molecules that will be studied by a ORBYTS group.
http://webbook.nist.gov/chemistry/
The NIST ChemWebbook contains the digitised Huber-Herzberg 1979 data.
1. Enter a molecule
2. Select the Constants of Diatomic Molecules section
From the original Huber-Herzberg compilation
