FTIR investigation of the O-H[middle dot][middle dot][middle dot]Xe interaction in simple carboxylic acids in solid xenon |
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Authors: | Gulce Ogruc Ildiz Cláudio M Nunes Nihal Kuş Rui Fausto |
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Affiliation: | Department of Chemistry, University of Coimbra, P-3004-535 Coimbra, Portugal. |
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Abstract: | 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[middle dot][middle dot][middle dot]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[middle dot][middle dot][middle dot]Xe interaction. O-H[middle dot][middle dot][middle dot]Xe interaction energies were obtained theoretically and also estimated from the spectroscopic data. Changes in the interaction energies upon temperature variation were also evaluated. |
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