Download e-book for iPad: Advanced Inorganic Chemistry. A Comprehensive Text by Cotton F.A., Wilkinson G.

By Cotton F.A., Wilkinson G.

ISBN-10: 0471175609

ISBN-13: 9780471175605

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6. There will be a small difference produced by the discrete nature of the problem in that the plot will be made up from a series of points. Structure 13 shows the result obtained using the figures of twistedA planar 13 Table 2. It does indeed have a characteristic fourth moment shape and predicts that anti van't Hoff stereochemistry should be possible at electron counts other than the one for allene itself. Calculations 17) by Schleyer and coworkers have suggested that this may well be the case.

6. Notice that the results encompass Htiekel's 4n + 2 rule 1) quite nicely. The electron counts predicted by this rule to give stable structures lie in regions where the m ring is stabilized with respect to the molecule which contains no such loops. Thus we find stability for C6I-I6 but not C6H~ 2, stability for C4I-I~2 but not C4H4 itself, etc. The moments method has therefore quickly provided a new way of looking at a very old problem. Although the energy difference curves of Fig. 6 have been generated by using a model based upon the overlap of pn orbitals, similar types of curves will arise for other orbital problems involving mth moment differences.

It is interesting then that much of the information contained in the diagrams at the far right-hand side of Fig. 1 is not used in understanding structural differences. There is another method for computing densities of states which we will briefly outline here. It is based on the method of moments and, until recently, has been exclusively used by the physics community3-14). The moments of the electronic density of states are defined as in Eqs. 6, 7 for a molecule = Ze n (6) for a solid = (7) f en~(e)de It is possible if we know the collection of moments { ~ ) to generate directly the electronic density of states Q(e) (Fig.

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Advanced Inorganic Chemistry. A Comprehensive Text by Cotton F.A., Wilkinson G.


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