Configuration mixing diagrams

A configuration-mixing diagram for this reaction provides an alternative explanation for the large -value. Three configurations, [54] to [56], are... 

VALENCE BOND CONFIGURATION MIXING DIAGRAMS GENERAL FEATURES... 

VALENCE BOND CONFIGURATION MIXING DIAGRAM WITH IONIC INTERMEDIATE CURVES... 

Valence Bond Configuration Mixing Diagram for Proton-Transfer Processes... 

Insights from Valence Bond Configuration Mixing Diagrams One Electron Less-One Electron More... 

FIGURE 32. (a) A schematic configuration mixing diagram for the insertion of MR2 into XH . A is the energy gap between the singlet and triplet configurations of the reactants. Adapted from Reference 440. (b) Dominant orbital interactions in the transition state of the insertion reactions of MR2 into a X—H bond. Based on the discussion in Reference 431... 

Fig. 7 Energy diagram showing the avoided crossing of Na" -Cl and Na+Cl configuration curves. State curves resulting from configuration mixing are indicated by dotted lines...

Fig. 23 Energy diagram that illustrates (a) the generation of a simplified SN2 reaction profile from reactant, N R- -X, and product, N- -R X , configurations. Dotted lines denote avoided crossing (i.e. the reaction profile after configuration mixing). (b) The effect of stabilization of N- -R X (e.g. by a substituent effect) is indicated by dotted lines. Arrows indicate the positions of the transition states with and without the stabilization...

The way in which the two excited configurations mix and split apart in energy is called configuration interaction. It is depicted in the energy level diagram of Figure 7.7 for the case at hand. 

The peculiar temperature and composition dependence of the valence of chemically collapsed phases of SmS was first observed in the system Sm1 xGdxS (55). Recently a phase diagram in the (x, T)-plane has been proposed for this system (41) as well as for CeTh alloys (44). When cooled below about 200 K the chemically collapsed phases of SmS show a dramatic lattice expansion, in some cases with explosive character (55) and disintegration of the crystal into a black powder. An example of this transition towards a more divalent state of Sm on cooling in SmAs 18 S 82 and Sm 81 Y19S is shown in Fig. 22 and 23, where we show the data of Poliak et al (63). The temperature dependent configurational mixing of Sm ions which is directly visualized in the XPS data is the source of the anomalous temperature dependence of the lattice constant. No detailed analysis of the dependence of the Sm 4/lineshape on temperature... 

The potential energy-configurational coordinate diagrams used by Hush to describe IT transitions (32) are presented in Figure 4. Diagrams showing IT transitions for both symmetrical [Reactions 7 (31, 34) and 8 (33)] and unsymmetrical (Reaction 6) mixed-valence ions are... 

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