Negative cooperativity in the formation of two H-bonds with an oxygen H-bond acceptor

Key Points

• The central aim is to investigate the impact of hydrogen bonds between phosphoryl oxygen and H-bond donors.
• Analyzed the interactions between phosphoryl oxygen and two H-bond donors.
• Observed the strength of the first and second H-bonding interactions.
• Evaluated the influence of electrostatic repulsion on H-bonding.
• The strength of the second H-bond interaction is significantly weaker than the first.
• Electrostatic repulsion between the two H-bond donors contributes to this effect.