The H-bond interaction of the adenine with HCl is investigated using the combined matrix-isolation FT-IR and theoretical density functional theory. Theoretical calculations indicate that three closed complexes of the type III (proton transfer or ion pair H-bond), each containing two hydrogen bond, i.e., N1+-H⋯Cl-⋯H-NH; N 3+-H⋯Cl-⋯H-N9 and N7+-H⋯Cl-⋯H-NH, have been obtained. The experimental spectra are consistent with this prediction.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry