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Chem Commun (Camb)
; 54(85): 12049-12052, 2018 Oct 23.
Article
in English
| MEDLINE
| ID: mdl-30294741
ABSTRACT
A thorough analysis of the Cambridge Structure Database reveals that intermolecular π-hole/nâπ* interactions with carbon monoxide ligands are abundant in the solid state and somewhat directional, particularly with fac-like M(CO)3 fragments (P < 4.0). High level DFT calculations suggest interacting energies up to about -10 kcal mol-1 for adducts of charge neutral complexes.