Download Advances in Molecular Structure Research. Volume 4 by M. Hargittai, I. Hargittai PDF

By M. Hargittai, I. Hargittai

This quantity is the fourth within the sequence and provides either caliber and breadth. As an entire it displays more and more discernible developments in sleek structural chemistry. One pattern is that parallel to the ever expanding specialization of strategies, there's a powerful interplay among the strategies. This interplay crosses the limits among quite a few experiments, among the experiments and computations, experiments and conception, and natural and inorganic chemistry. the opposite pattern is the ever expanding penetration of the main smooth facets of structural chemistry the remainder of chemistry, making the demarkation of structural chemistry more and more fuzzy that is the main welcome improvement from a structural chemist's standpoint.

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C. Acta Crystallogr. 1974, B30, 2795. Ligand Close-Packing Model 37 Figure 3. Diagrammatic representation of the formation of the lone pair in the PCI3 molecule. (a) An isolated p3+ ion consisting of a p5+ core surrounded by two valence shell electrons in a spherical shell. (b) Three approaching CI-ions distort the distribution of the two valence shell electrons pushing them to one side of the p5+ core. (c) When the CI-ions reach their equilibrium positions the two valence shell electrons are localized into a lone pair which acts as a pseudo ligand giving the PCI3 molecule its pyramidal shape.

D. Hydroxyl Groups Which Apparently Donate No Hydrogen Bonds . . . V. Hydrogen Bond Networks . . . . . . . . . . . . . . . VI. Conclusions . . . . . . . . . . . . . . . . . . I. Advances in Molecular Structure Research Volmne 4, pages 43-77 Copyright 9 1998 by JAI Press Inc. All rights of reproduction in any form reserved. 0348-4 43 44 44 44 45 48 53 53 57 57 58 61 61 65 67 68 69 74 THOMAS STEINER 44 Acknowledgments . . . .

O = C hydrogen bonds comes close to that for hydroxyl groups, indicating a considerable hydrogen bond strength. Although less acidic C-H groups can also donate hydrogen bonds [6-9, 27] (note that in Figure 1, the histogram for methyl groups is not yet flat as that for van der Waals contacts), it is clear that the more acidic C-H groups will be particularly interesting systems. Unfortunately, molecules carrying very acidic C-H groups are typically problematic to handle (such as HCN and trinitromethane [28]).

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