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.
Abstract
When a phosphoryl oxygen interacts with two H-bond donors, the strength of the second H-bonding interaction much weaker than the first interaction, due to electrostatic repulsion between the two donors.