Coordinate bond-bonding models field theory

The model that largely replaced valence bond theory for interpreting the chemistry of coordination compounds was Ihe crystal field theory, first proposed in 1929 by Hans Bethe.11 As originally conceived, it was a model based on a purely electrostatic... 

Bond - Coordinate Bond . Maybe it doesn t exactly roll off the tongue, but it s hard to avoid this adaptation of the personal introduction used by perhaps our best-known and most enduring screen spy to introduce this section - it serves its purpose to remind us of the endurance and strength of bonds between metals and ligands, which at a basic level we can consider as a covalent bond. Moreover, it isn t just any bond, but a specially-constructed coordinate bond - hence the name of this field, coordination chemistry. Unfortunately, the simple covalent bonding concept does not provide valid interpretations for all of the physical properties of coordination complexes, and more sophisticated theories are required. We shall examine a number of bonding models for coordination complexes in this chapter. 

Scientists have long recognized that many of the magnetic properties and colors of transition-metal complexes are related to the presence of d electrons in the metal cation. In this section we consider a model for bonding in transition-metal complexes, crystal-field theory, that accounts for many of the observed properties of these substances. Because the predictions of crystal-field theory are essentially the same as those obtained with more advanced molecular-orbital theories, crystal-field theory is an excellent place to start in considering the electronic structure of coordination compounds. 

The cluster-continuum moder iUuslrated in scheme 1 was used to simulate the most common electrolytes of LIBs. The supra-molecular cluster applied to the inner ring (scheme 1) incorporates the mutual effect between salt and solvent molecules by including the first solvation shell of the salt. Due to the minor effect that the salt anion XT has on the reductive behavior of solvent molecules coordinated with Li, XT and the surrounding solvent molecules are not discussed in the current chapter. The bulk solvent effect in the second ring of scheme 1 is treated by polarized continuum models, such as PCM, conductor-like PCM (CPCM), isodensity PCM (IPCM), and self-consistent isodensity PCM (SCl-PCM), which were developed on the basis of the Onsager reaction field theory and are recognized to provide reliable results for systems without specific interactions such as hydrogen bond. 

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