Hydrogen bonding of the nucleobase mimic 2-pyridone to fluorobenzenes: An ab initio investigation

An investigation is conducted of the relative importance of hydrogen bonding versus pie stacking interactions in DNA where the hydrogen-bonded complexes of the nucleobase mimic 2-pyridone (2PY) with seven different fluorinated benzenes. Ab initio studies are performed on the individual hydrogen bonds occurring between nucleobases and fluronated isomers.