Predictions for free phosphorus ligands are decent in my experience. Just not that useful, so using that data set for phosphorus is the one time it might make sense. Other than the fact there's whole books of actual real spectra.
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Yeah, I'm a metal complex guy as I said. It seems that this might be useful for organic P compounds. That said, if predictions are good already...
jul 22, 2025, 8:29 pm • 1 0 • view
I did a lot of organometallics as well. There was a couple websites/papers that would let you predict the more common ones fairly closely, kind of like how you can with carbon. But beyond that you needed to know what you put in the flask.
jul 22, 2025, 8:42 pm • 0 0 • view