Linearly Bridging N₂ versus CO: Chemical Bonding and Spin‐Controlled Reactivity.

Chemical Bonding

SOLVENT EFFECTS AND CHEMICAL REACTIVITY Understanding Chemical Reactivity

This chapter reviews the theoretical background for continuum models of solvation, recent advances in their implementation, and illustrative examples of their use. Continuum models are the most efficient way to include condensed-phase effects into quantum mechanical calculations, and this is typically accomplished by the using self-consistent reaction field (SCRF) approach for the electrostatic...

Fe(III) Oxide Reactivity Toward Biological versus Chemical Reduction

Initial rates of biological (Shewanella putrefaciens strain CN32, pH 6.8) and chemical (ascorbate, pH 3.0) reduction of synthetic Fe(III) oxides with a broad range of crystallinity and specific surface area were examined to assess how variations in these properties are likely to influence the kinetics of bacterial Fe(III) oxide reduction in heterogeneous natural Fe(III) oxide assemblages. The r...

Compton Spectroscopy and Chemical Bonding

In this article we show with the help of two examples how Compton spectroscopy may be used to study the effect of chemical bonding in materials as diverse as a molecular crystal and a high temperature superconductor. Compton spectroscopy has a long history as an investigative method in condensed matter physics and in fact the realisation that the Compton profile is sensitive to the effects of c...

Chemical Bonding and Molecular Geometry

Figure 7.1 Nicknamed “buckyballs,” buckminsterfullerene molecules (C60) contain only carbon atoms. Here they are shown in a ball-and-stick model (left). These molecules have single and double carbon-carbon bonds arranged to form a geometric framework of hexagons and pentagons, similar to the pattern on a soccer ball (center). This unconventional molecular structure is named after architect R. B...