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2005
IR and Raman spectra
D 6530
Infrared and Computational Investigation of Vanadium-Substituted Keggin
[PVnW12-nO40 ](n+3)- Polyoxometallic Anions. — Complex salts of the title Keggin an30- 016 ions
(n = 0, 1, 2, 3) are characterized by Fourier transform IR spectroscopy under ambient atmospheric and high-vacuum conditions and by molecular orbital calculations
using density functional theory. It is concluded that IR spectroscopy is a unique and
unambiguous probe of the presence and the number of V atoms in these anions. The
spectral region of 1025—1250 cm-1 provides a set of benchmark absorption features
that can be used to identify the compounds, regardless of the countercation and the presence of water in the structure. All the characterized structures are extremely stable over
a wide range of temperatures, i.e., these compounds are suitable for high-temperature
catalytic processes. — (WATRAS, M. J.; TEPLYAKOV*, A. V.; J. Phys. Chem. B 109
(2005) 18, 8928-8934; Dep. Chem. Biochem., Univ. Del., Newark, DE 19716, USA;
Eng.) — W. Pewestorf
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