Optical bands of dodecanuclear compounds H4PVMo11O40·yH2O with Keggin structure. Semiclassical vibronic model

Abstract

The problem of optical spectra of dodecanuclear clusters with the Keggin structure is considered. Charge-transfer and d–d-bands arising from intact and ill-defined species formed on different stages of disintegration of the heteropoly acid H₄PVMo₁₁O₄₀·yH₂O are investigated in detail. On the basis of the performed calculations the transformation of optical spectra of H₄PVMo₁₁O₄₀·yH₂O under increasing temperature and time on stream is explained.