Intramolecular π–hole interactions with nitro aromatics
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DOI: 10.1039/c9ce01015g
Abstract: A thorough CSD evaluation and DFT calculations reveal that intramolecular ElR⋯NO2 π-hole interactions can stabilize conformers of nitro aromatics by up to 2–3 kcal mol−1 when ElR and N separated by ≥4 bonds. read more here.
Keywords: interactions nitro; hole interactions; intramolecular hole; nitro aromatics ... See more keywords