Models of Bond-Breaking Ion and Electron Transfer Reactions

MOLECULAR MODELS OF BOND-BREAKING ION AND ELECTRON TRANSFER REACTIONS 

Molecular modeling treatments of electron transfer kinetics for reactions involving bond breaking were developed much earlier than the continuum theories originated by Weiss in 1951. Gurney in 193l published a landmark paper (the foundation of quantum electrochemistry) on a molecular and quantum mechanical model of proton and electron transfer 

In the early 1990s a few classical semimoleculai and molecular models of electron transfer reactions involving bond breaking appeared in the literature. A quantum mechanical treatment of a unified mr el of electrochemical electron and ion transfer reactions involving bond breaking was put forward by Schmickler using Anderson-Newns Hamiltonian formalism (see Section V.2). 

---