Tuning the resonance-assisted hydrogen bond (RAHB) of malonaldehyde using π-conjugated substituents and presentation of its energy decomposition
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Position of substituents (R1 = H and R2, R3 = H, F, CnHn+1) on malonaldehyde has been changed to amplify its intramolecular hydrogen bonding (IHB) interaction. Results show that π-conjugated substituents at R3 position cause increase of IHB energies of the su... ...
