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Bonded Interactions and the Crystal Chemistry of Minerals: a Review by G. V. Gibbs; Robert T. Downs; David F. Cox; Nancy L. Ross; Charles T. Prewitt; Kevin M. Rosso; Thomas Lippmann; Armin Kirfel is a Chemistry article available to read on EtoBox.

What is Bonded Interactions and the Crystal Chemistry of Minerals: a Review about?

Connections established during last century between bond length, radii, bond strength, bond valence and crystal and molecular chemistry are briefly reviewed followed by a survey of the physical properties of the electron density distributions for a variety of minerals and representative molecules, recently generated with first-principles local energy density quantum mechanical methods. The structures for several minerals, geometry-optimized at zero pressure and at a variety of pressures were found to agree with the experimental structures within a few percent. The experimental Si–O bond lengths and the Si–O–Si angle, the Si–O bond energy and the bond critical point properties for crystal quartz are comparable with those calculated for the H~6~Si~2~O~7~ disilicic acid molecule, an indication that the bonded interactions in silica are largely short ranged and local in nature. The topology of model experimental electron density distributions for first and second row metal M atoms bonded to O, determined with high resolution and high energy synchrotron single crystal X-ray diffraction data are compared with the topology of theoretical distributions calculated with first principles meth

Who reads Bonded Interactions and the Crystal Chemistry of Minerals: a Review?

Author

G. V. Gibbs; Robert T. Downs; David F. Cox; Nancy L. Ross; Charles T. Prewitt; Kevin M. Rosso; Thomas Lippmann; Armin Kirfel

Publisher

Oldenbourg Wissenschaftsverlag; Walter de Gruyter GmbH (ISSN 2194-4946)

Published

2008

Language

EN

Field

Chemistry (Physical Sciences)