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

Monika Hartl, Luke Daemen, Hans Hartl, Irene Brüdgam, Jürgen Eckert

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4 Scopus citations


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.

Original languageEnglish
Pages (from-to)87-94
Number of pages8
JournalChemical Physics
StatePublished - Dec 12 2013


  • DFT
  • FT-IR
  • IINS
  • Short hydrogen bonds
  • Single crystal XRD


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