Download Bonding and Charge Distribution in Polyoxometalates: A Bond by D. Michael P. Mingos PDF

By D. Michael P. Mingos

Content material: Bond length-bond valence relationships, with specific connection with polyoxometalate chemistry / K.H. Tytko -- A bond version for polyoxometalate ions composed of MO6 octahedra (MOk polyhedraa with okay > four) / K.H. Tytko -- Bonding and cost distribution in isopolyoxometalate ions and suitable oxides -- a bond valence procedure / K.H. Tytko

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Extra resources for Bonding and Charge Distribution in Polyoxometalates: A Bond Valence Approach (Structure and Bonding, Volume 93)

Example text

Eq. (lb) resulted for the same set of reference structures in a standard deviation az of similar size. Because of the small size of the set of reference structures a statement about the better function is not meaningful. Because of the small size of the set of reference structures a test for an improvement of Eqs. (la) and (lb) by a third parameter is not reasonable. The standard deviations for the M-O bond valences and for the charge on the oxygen atoms at application of the exponential function, based on the set of reference structures, are given in Table 2.

52% MO4 tetrahedra, 44% MO6 octahedra, and 4% trigonal MOs bipyramids. Eq. 789 _~, N - - 5 . u. This shows again that Eq. (la) gives a somewhat better description of the structural data than Eq. (lb). Introduction of a third adjustable parameter into Eqs. , according to Eqs. ( l l a ) and ( l l b ) , respectively, led for the case of Eq. H. Tytko et al. to no further improvement of az and for the case of Eq. , the value which was also obtained with Eqs. (la) and (11a). u. 2%) is merely due to bond length errors (compare Sects.

In Mo70~4 0% and in ~-Mo8046 25% of the MOk polyhedra are not octahedra. ). 013, 4 An additive (absolute) systematicerror in the bond lengths has no influenceon the B parameter of Eq. (la) but do changes according to the absolute systematic error; a percentage (relative) systematic error in the bond lengths has no influence on the N parameter of Eq. (lb) but do changes according to the relative systematic error. 027 ~,5 respectively, tested again in each case for nine different r a n d o m distributions of the above-stated errors (crd's) (Fig.

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