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Valence Bond Configuration Mixing Diagrams for Proton-Transfer Processes

1 Valence Bond Configuration Mixing Diagram for Proton-Transfer Processes [Pg.145]

FIGURE 6.13 The effect of the triple ionic structure, cl Is in proton-transfer processes between (a) very strong XT bases (e.g., X = CH3), and (b) FT anions the latter is computed by VB theory (Adapted with permission from Ref. 5.) Energies are in kcal/mol. [Pg.145]

2 Insights from Valence Bond Configuration Mixing Diagrams One Electron Less-One Electron More [Pg.146]

FIGURE 6.14 Comparison of the VBCMDs for the (a) proton transfer process, F + H—F, and (b) hydrogen-abstraction process, F + H—F. The curves in bold are adiabatic state curves. [Pg.147]




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Bonded protons

Bonding mixed

Bonds mixing

Configuration diagram

Configuration mixing

Configuration mixing diagrams

Configurational mixing

For mixing

Mixed valence

Mixing diagram

PROCESSING DIAGRAMS

Process configurations

Process diagramming

Process diagrams

Processing bonding

Proton transfer process

TRANSFER MIXING

Valence bond configurations

Valence configurations

Valency configuration

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