FTIR investigation of the O-H···Xe interaction in simple carboxylic acids in solid xenon.
The O-H stretching region of the infrared spectra of a series of carboxylic acids in Xe matrices was investigated as a function of temperature. Upon increasing the temperature, the νO-H band site-components undergo reversible frequency blue-shifts, which are larger for the lowest-frequency components. This unprecedented observation indicates both that different types of O-H···Xe specific interactions occur, depending on different trapping sites, and the prevalence of stronger interactions of this type for molecules trapped in sites corresponding to lower frequency νO-H band site-components. These results are in agreement with previous investigations pointing to an increased stabilization and larger νO-H frequency red-shifts in carboxylic acid∕Xe complexes bearing a specific H-bond like O-H···Xe interaction. O-H···Xe interaction energies were obtained theoretically and also estimated from the spectroscopic data. Changes in the interaction energies upon temperature variation were also evaluated.
Department of Chemistry, University of Coimbra, P-3004-535 Coimbra, Portugal. g.ogruc@iku.edu.tr
Gulce
G
Ogruc Ildiz
Cláudio M
CM
Nunes
Nihal
N
Kuş
Rui
R
Fausto