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Title: Spectroscopic studies of proton transfer in hydrogen bonding: adenine complexed to HCl
Authors: Dkhissi, A ×
Houben, Linda
Adamowicz, L
Maes, Guido #
Issue Date: Jan-2004
Publisher: Elsevier science bv
Series Title: Chemical Physics Letters vol:387 issue:4-6 pages:362-366
Abstract: 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 orion pair H-bond), each containing two hydrogen bond, i.e., N-1(+)-H...Cl-...H-NH; N3-H...Cl-...H-N-9 and N-7(+)-H...Cl-...H-NH, have been obtained. The experimental spectra are consistent with this prediction. (C) 2004 Elsevier B.V. All rights reserved.
URI: 
ISSN: 0009-2614
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Chemistry - miscellaneous
Quantum Chemistry and Physical Chemistry Section
× corresponding author
# (joint) last author

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