Related Experiment Video
Updated: Apr 15, 2026

High-Temperature and High-Pressure In situ Magic Angle Spinning Nuclear Magnetic Resonance Spectroscopy
Published on: October 9, 2020
Vibrational spectroscopic study of dehydroacetic acid and its cinnamoyl pyrone derivatives
Ferenc Billes1, Lenka Elečková2, Hans Mikosch3
1Department of Physical Chemistry and Material Science, Budapest University of Technology and Economics, H-1521 Budapest, Budafoki út 8, Hungary; Institute of Chemical Technologies und Analytics, Vienna University of Technology, A-1060 Vienna, Getreidemarkt 9/164-EC, Austria.
Abstract:
The infrared and Raman spectra of dehydroacetic acid and some of its derivatives were measured. The assignments of the vibrational bands were based on quantum chemical calculations and normal coordinate analysis. The optimized structures, atomic net charges and dipole moments of the investigated molecules were also results of our quantum chemical calculations. The analysis of the last properties made possible a deeper insight into the structure and substituent effect on the investigated molecules. One of them is presented in the graphical abstract.
Related Concept Videos
Spectroscopy of Carboxylic Acid Derivatives
IR and UV–Vis Spectroscopy of Carboxylic Acids
However, the stretching absorptions for the C=O bond vary depending on the structure of carboxylic acids. The C=O bond of the free carboxylic acids shows a higher stretching frequency, 1760 cm−1, while H-bonded carboxylic acids (dimers) exhibit stretching absorptions at a lower frequency,...
NMR and Mass Spectroscopy of Carboxylic Acids
While α protons of carboxylic acids absorb at 2–2.5 ppm, β protons absorb further upfield.
Carboxylic acids are easily identified by dissolving them in deuterium oxide, which results in a rapid exchange of the acidic protons with deuterium. This leads to the...
NMR Spectroscopy and Mass Spectrometry of Aldehydes and Ketones
IR and UV–Vis Spectroscopy of Aldehydes and Ketones
¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

