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Issue 1, 2011
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Combined XRD and infrared studies of pyridinium species in (PyH)3[PW12O40] single crystals

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Abstract

The pyridinium salts of 12-tungstophosphoric acid (PyH)3[PW12O40]·2CH3CN (1) and (PyH)3[PW12O40] (2) have been prepared and studied by single crystal and powder X-ray diffraction (XRD) in order to characterize the crystallographic sites occupied by the pyridinium species. The three PyH+ species are located on two unequivalent sites. Two species are linearly H-bonded to the oxygen atoms of the Keggins unit (α species), whereas the third one (β) forms a bent H-bond. In order to determine the infrared bands characterizing each type of pyridinium species in the 1650–1300 cm−1 range, infrared spectra have been recorded from room temperature to 100 K. They reveal that only α pyridinium species give rise to the unusual splitting of the PyH+ν8b and ν19b modes, whereas β pyridinium species lead to a classical pyridinium spectrum.

Graphical abstract: Combined XRD and infrared studies of pyridinium species in (PyH)3[PW12O40] single crystals

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Publication details

The article was received on 04 May 2010, accepted on 24 Sep 2010 and first published on 28 Oct 2010


Article type: Paper
DOI: 10.1039/C0CP00446D
Citation: Phys. Chem. Chem. Phys., 2011,13, 322-327
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    Combined XRD and infrared studies of pyridinium species in (PyH)3[PW12O40] single crystals

    C. Pichon, P. Mialane, J. Marrot, C. Binet, A. Vimont, A. Travert and J. Lavalley, Phys. Chem. Chem. Phys., 2011, 13, 322
    DOI: 10.1039/C0CP00446D

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