Spin configuration

We will describe two cases open and closed chains of sites. For an open chain of sites, the energy of a spin configuration is... 

Figure 7.40 (a) Weak-field, high-spin and (b) strong-field, low-spin configurations in d, d, d ... 

Figure 19.16 The possible high-spin and low-spin configurations arising as a result of the imposition of an octahedral crystal field on a transition metal ion.

Organometallic compounds apart, oxidation states below - -2 are best represented by complexes with tris-bidentate nitrogen-donor ligands such as 2,2 -bipyridyl. Reduction by LiAlH4 in thf yields tris(bipyridyl) complexes in which the formal oxidation state of vanadium is -1-2 to —1. Magnetic moments are compatible with low-spin configurations of the metal but. 

IS readily obtained hy photolysis of a solution of (Relrj -CsMctl H) in pentane. It is low-spin at loss lemperatutes but has a minor contnbiuion frtim the high-spin configuration at ro m temperature ... 

It is possible to observe spin-allowed, d d bands in the visible region of the. spectra of low-spin cobalt(lll) complexes because of the small value of 0Dq, (A), which is required to induce spin-pairing in the cobalt(lll) ion. This means that the low-spin configuration occurs in complexes with ligands which do not cause the low -energy charge transfer bands whieh so often dominate the spectra of low-spin complexes. 

All complexes in this oxidation state which have been characterized are octahedral and diamagnetic with the low-spin configuration. 

Since a considerable amount of review articles on both theoretical frameworks and calculated results have been reported[15-25], the main objective of the present study is placed on the comparisons with experimental results. The organization of the present report is as follows In the next section, for the sake of completeness, a brief theoretical description of the PPM is summarized from the previous articles. In the third section, disorder-LIq transition is focused and visualized atomic (spin) configuration is compared with recent high resolution electron micrograph. In the fourth section, ordering relaxation... 

Figure 2 Time sequence of th< spin configuration on a (100) plane at 50% when the system at T=2.5 (snapshot a) is quenched down to T—1.7 and is subject to an isothermal aging. Snapshots demonstrated in figs, b, c and d correspond to time t=20,000, 43,000 and 50,000. The long range and short range order parameters input from the PPM calculations and resultant ones in the simulated lattice are also demonstrated [22, 24, 28]. ...

The nuclear spin product functions will be represented by where n represents a given nuclear spin configuration characterized by nuclear spin quantum number Wj and for nuclei j and k, respectively. 

The change from high- to low-spin configurations is necessarily discontinuous. A given complex is either on one side of the divide or the other. We conclude this section with a look at how the steric role of the d shell can affect angular geometries within a series of just high-spin, nominally tetrahedral nickel(ii) complexes. 

Similar effects are observed in the iron complexes of Eqs. (9.13) and (9.14). The charge on the negatively charged ligands dominates the redox potential, and we observe stabilization of the iron(iii) state. The complexes are high-spin in both the oxidation states. The importance of the low-spin configuration (as in our discussion of the cobalt complexes) is seen with the complex ions [Fe(CN)6] and [Fe(CN)6] (Fq. 9.15), both of which are low-spin. 

A typical example of a correlation diagram for Fe is given in Fig. 4.3. It summarizes the isomer shifts for a great variety of iron complexes with oxidation states (1) to (VI) in the order of the respective high-spin, intermediate-spin, and low-spin configurations. The plot of the corresponding values marked by grey, hatched and open bars demonstrates three major trends ... 

In a crystal-field picture, the electronic structure of iron in the five-coordinate compounds is usually best represented by a (d yf idyz, 4cz) ( zO configuration [66, 70], as convincingly borne out by spin-unrestricted DFT calculations on the Jager compound 20 [68]. The intermediate spin configuration with an empty d 2 yi orbital in the CF model, however, has a vanishing valence contribution to the... 

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