Polarization IR spectra of hydrogen bonded pyrazole crystals: self-organization effects in proton and deuteron mixture systems. Long-range H/D isotopic effects

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Henryk T Flakus, Aleksandra Machelska

Abstract

This paper deals with experimental studies of the polarization IR spectra of solid-state pyrazole H1345, as well as of its H1D345, D1H345 and D1345 deuterium derivatives. Spectra were measured for the vN-H and vN-D band frequency ranges at temperatures of 298 and 77 K. The spectra were found to strongly change their intensity distribution and their polarization properties with the decrease of temperature. These effects were ascribed to some temperature-induced conformational changes in the hydrogen bond lattices. The studies reported allowed the finding of new kind of isotopic effects H/D in the open-chain hydrogen bond systems, i.e. the self-organization effects. It was found that the spectrally active aggregates of hydrogen bonds remain unchanged despite the growing isotope H/D exchange rate. This statement was supported by analysis of the residual polarized vN-H and vN-D band properties, measured for the isotopically diluted crystalline samples. Analysis of the band shapes of the four hydrogen isotope derivative crystals proved the existence of another kind of H/D isotopic effect, i.e. the long-range isotopic effect. It depends on an influence of the pyrazole ring hydrogen atoms onto the vN-H and vN-D band widths and onto th...Continue Reading

References

Jan 26, 2002·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Henryk T Flakus, Michal Chelmecki
Jan 26, 2002·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Henryk T FlakusPeter G Jones
Sep 25, 2004·Antimicrobial Agents and Chemotherapy·Michael J PucciYasutsugu Ueda

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Citations

Jul 7, 2012·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Henryk T FlakusAnna Michta
Oct 25, 2011·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Henryk T FlakusAgnieszka Stolarczyk
May 31, 2011·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Henryk T Flakus, Barbara Hachuła
Aug 8, 2009·Dalton Transactions : an International Journal of Inorganic Chemistry·Simone ContaldiArmando J L Pombeiro

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