Theoretical study of imidazole...NO complexes.

Rachel Crespo-Otero1, Kenny Bravo-Rodríguez, Reynier Suardíaz

  • 1Laboratorio de Química Computacional y Teórica, Facultad de Química, Universidad de la Habana, 10400 Havana, Cuba.

Summary

Protonation of imidazole significantly stabilizes its weak complexes with nitric oxide, particularly in planar arrangements. These interactions are confirmed as hydrogen bonds, with charge transfer playing a key role in stabilization.

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