I have a reviewer that wants dispersion corrections for an excimer metal complex I have submitted. The excimer is clearly "covalently" bonded through a Metal-to-Metal bond with a relative energy of -95 kJ/mol compared to the monomers (in PCM ethanol, no counterpoise using PBE1PBE/6-31G(d)(C,H,N)/SDD(Pt)). I understand the importance of dispersion correction for supramolecular interactions, which can be subtly affected by small changes in energy, but how important are they compared to the relative energy above? What are the magnitudes of correction we can expect, and are they important enough to consider for actual bonding situations?
Best,
Peter
Hi Thanks. However, my system has a proper metallophilic bond between the interacting species. To be sure there are supramolecular interaction energies. You numbers suggest they are on the order of bonding so thanks, they should matter.
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