I am looking for a database, in which the experimental ionization energies (and e.g. heat of formation) of atoms and diatomic molecules are listed as files. If it comes with a Python package, that would even better.

I found the Pitt Quantum Repository, but there seem to be only theoretical values.

  • $\begingroup$ CRC handbook of chemistry and physics lists IEs of elements, atomic and several molecular ions. Also, have a look at Resources for learning Chemistry. $\endgroup$ – andselisk Oct 20 '19 at 14:20
  • $\begingroup$ Ah. The good old rubber bible. No chemistry shelf is complete without it. :-) $\endgroup$ – Gwyn Jul 1 '20 at 18:26

NIST Atomic Spectra Database has the atom part. Not sure about molecules. https://physics.nist.gov/PhysRefData/ASD/ionEnergy.html


Your Answer

By clicking “Post Your Answer”, you agree to our terms of service, privacy policy and cookie policy

Not the answer you're looking for? Browse other questions tagged or ask your own question.