Short hydrogen bonds in 2,4-dinitrobenzoic acid complexed with pyridine

Autor:	Irene Brüdgam, Jürgen Eckert, Monika Hartl, Luke L. Daemen, Hans Hartl
Rok vydání:	2013
Předmět:	Proton Hydrogen bond Inorganic chemistry General Physics and Astronomy chemistry.chemical_compound Crystallography Deuterium chemistry Pyridine Molecule Physical and Theoretical Chemistry Fourier transform infrared spectroscopy Spectroscopy Single crystal
Zdroj:	Chemical Physics. 427:87-94
ISSN:	0301-0104
DOI:	10.1016/j.chemphys.2013.10.016
Popis:	The aim of this work was to describe the vibrations connected with the short hydrogen bonds of differing geometries in 2,4-dinitrobenzoic acid and in 2,4-dinitrobenzoic acid complexed in two ratios with pyridine. All three compounds contain short hydrogen bonds either between two acid molecules (OH ⋯ O bond) or between acid and pyridine (NH ⋯ O bonds) or both. We selectively deuterated the proton of the 2,4-dinitrobenzoic acid molecule involved in the proton transfer to aid in the assignment of the H-bond protonic modes. The compounds have been characterized with single crystal X-ray diffraction, CHN elemental analysis, FT-IR and IINS spectroscopy. We show that our combination of analytical methods with DFT calculations represents a fruitful approach to observe the relationship between the geometries of hydrogen bonds and their dynamics.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::6aedbaef6fd363d82583c0ff438d00f7 https://doi.org/10.1016/j.chemphys.2013.10.016 Zobrazit plný text záznamu Full Text from ScienceDirect