Molecule EA/IE to redox potentials vs. Li/Li+?

Hi Austin,

Apologies for the slow response!

Since IP and EA are both one-electron processes, you just divide the value in eV by 1 to get to volts. Thus, for these specific properties, the eV and V values are the same. To convert that to voltage vs. Li/Li+, you subtract 1.4, aka the difference between the H/H+ reference electrode and the Li/Li+ electrode. In other words IE-1.4 = oxidation potential (volts vs. Li/Li+) and EA-1.4 = reduction potential (volts vs. Li/Li+).

However, this conversion is already done for you on the molecules explorer. Click on Show / hide columns and select “Oxidation Lithium” and “Reduction Lithium” and the redox potential voltages you’re looking for will be displayed.

I strongly encourage you to use the values displayed once you show the relevant columns because we’re in the process of cleaning up some of our old molecule data which incorrectly has IP / EA and redox potentials set to the same values. Those values are actually the redox potentials, not the IP / EA, thus if you just always use the values displayed by the “Oxidation Lithium” and “Reduction Lithium” then you’ll be safe.

Please let me know if any of this is unclear or if you have any other questions!

Thanks,
Sam