The ‘Dative’ Chemical Bond

The Chemical Bond

Theories of the chemical bond aim to explain the structures and stabilities of molecules, and different theories aim for different levels of explanation. The most important theories are those that give simple explanations for the structures and stabilities of the most stable molecules ; broadly speaking, those that we find in bottles on the shelf of a laboratory. However, as experimental chemis...

Computational and Spectroscopic Study of the B-n Dative Bond in Ammonia Borane

The Representation of the Chemical Bond in Quantum Chemical Calculations

The mathematical representation of chemical bonds in molecules is discussed. The molecule is viewed as a system of weakly interacting chemical bonds. The intrabond problems and the averaged electrostatic interbond interactions are handled at the . zeroth order, while the small interbond delocalization and dispersion effects are taken into account on the basis of the perturbation theory. A speci...

The Art of the Chemical Bond

Chemical bonding enables scientists to take the 100-plus elements of the periodic table and combine them in myriad ways to form chemical compounds and materials. The success rate is pretty good, as more than 120 million chemical substances are currently registered by CAS, a division of the American Chemical Society. But there are still hundreds of millions more waiting to be created. Researcher...

Chemical Bonding: The Orthogonal Valence-Bond View

Chemical bonding is the stabilization of a molecular system by charge- and spin-reorganization processes in chemical reactions. These processes are said to be local, because the number of atoms involved is very small. With multi-configurational self-consistent field (MCSCF) wave functions, these processes can be calculated, but the local information is hidden by the delocalized molecular orbita...