AI Article Synopsis
- The study examined CH/pi interactions between acetylacetonato ligands and phenyl rings, using data from the Cambridge Structural Database as well as quantum chemical calculations.
- The acetylacetonato ligand can function as a hydrogen atom donor or acceptor, influencing its interactions with metal in chelate rings.
- Stronger interactions were found when the acetylacetonato acted as a donor with soft metals, while this trend did not hold for acceptor interactions.
Article Abstract
CH/pi interactions between the coordinated acetylacetonato ligand and phenyl rings were analyzed in the crystal structures from the Cambridge Structural Database and by quantum chemical calculations. The acetylacetonato ligand may engage in two types of interactions: it can be hydrogen atom donor or acceptor. The analysis of crystal structures and calculations show that interactions with the acetylacetonato ligand acting as hydrogen atom donor depend on the metal in an acetylacetonato chelate ring; the chelate rings with soft metals make stronger interactions. The same trend was not observed in the interactions where the acetylacetonato chelate ring acts as the hydrogen atom acceptor.
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| http://dx.doi.org/10.1021/ic051926g | DOI Listing |
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