TY - JOUR
T1 - Spectroscopic studies of proton transfer in hydrogen bonding
T2 - Adenine complexed to HCl
AU - Dkhissi, A.
AU - Houben, L.
AU - Adamowicz, L.
AU - Maes, G.
N1 - Funding Information:
A.D. and L.H. acknowledge financial support from KULeuven.
PY - 2004/4/1
Y1 - 2004/4/1
N2 - 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.
AB - 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.
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U2 - 10.1016/j.cplett.2004.02.031
DO - 10.1016/j.cplett.2004.02.031
M3 - Article
AN - SCOPUS:1642267350
VL - 387
SP - 362
EP - 366
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 4-6
ER -