Interactions between Carboxylic Acids and Heteroaromatics: A Rotational Study of Formic Acid–Pyridine

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• 作者：Lorenzo Spada ; Qian Gou ; Barbara M. Giuliano ; Walther Caminati
• 刊名：Journal of Physical Chemistry A
• 出版年：2016
• 出版时间：July 14, 2016
• 年：2016
• 卷：120
• 期：27
• 页码：5094-5098
• 全文大小：276K
• 年卷期：0
• ISSN：1520-5215

文摘

The rotational spectra of four isotopologues of the 1:1 complex between formic acid and pyridine show that the two units are linked together through a “classical” (OH···N) and a weak (CH···O) hydrogen bond. The molecular system appears quite rigid and no effects of the internal motions have been observed in the spectrum. The dissociation energy obtained from the centrifugal distortion by applying an approximate model, 39.8 kJ/mol, is quite similar to the ab initio value, 41.7 kJ/mol. Its relatively high value suggests a small charge transfer to take place.