Title: Analysis of the vibration correlation diagram of base center dot HCl(DCl) H-bonded complexes in Ar matrices: Type II and intermediate type I->II systems
Authors: Houben, Linda ×
Schoone, K
Maes, Guido #
Issue Date: Jan-1996
Publisher: Elsevier science bv
Series Title: Vibrational spectroscopy vol:10 issue:2 pages:147-159
Abstract: The Fourier transform infrared spectra of the II-bonded complexes between HCl and 4-aminopyridine, 4-aminopyrimidine, 4-hydroxypyridine, 2-hydroxypyridine, benzimidazole and purine were investigated in Ar matrices. From the analysis of these spectra, the II-bonds N ... HCl appear to be of the pseudosymmetric type II for 4-aminopyridine, 4-aminopyrimidine and 4-hydroxypyridine, while benzimidazole forms a slightly weaker complex. II-bonding of HCl with the bases 2-hydroxypyridine and purine is of the intermediate type I --> II. In the case of 4-aminopyrimidine, additional bonding of the Cl atom of HCl to an amino N-H bond yields a closed complex which explains the type II behaviour. In all other cases, bonding of additional HCl molecules to the 1:1 complexes results in proton transfer towards N-H+... Cl-...(HCl)(n) species, but n is much lower for type II than for the intermediate type I --> II complexes. The results allow us to investigate the vibration correlation diagram and the isotopic ratio nu(HCl)/nu(DCl) for B . HCl complexes in Ar matrices into more detail.
ISSN: 0924-2031
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Chemistry - miscellaneous
Quantum Chemistry and Physical Chemistry Section
Centre for Sociological Research
× corresponding author
# (joint) last author

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