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C−C Bond as Shuttle of Two Electrons in Intermolecular and Intramolecular Processes: A Theoretical Approach to Molecular Batteries
Author(s) -
Rosi Marzio,
Sgamellotti Antonio,
Franceschi Federico,
Floriani Carlo
Publication year - 1999
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/(sici)1521-3765(19991001)5:10<2914::aid-chem2914>3.0.co;2-m
Subject(s) - intramolecular force , intermolecular force , electron , chemical physics , redox , metal , chemistry , chemical bond , materials science , atomic physics , crystallography , computational chemistry , nanotechnology , molecule , inorganic chemistry , physics , stereochemistry , organic chemistry , quantum mechanics
Electron reservoirs : Systems in which C−C σ bonds are formed upon the acquisition or donation of pairs of electrons (see diagram) have been investigated by density functional calculations. These systems are interesting for the design of molecular batteries as the redox process is reversible. In these systems the formation or the breaking of C−C bonds avoids a variation in the oxidation state of the metal: these C−C bonds, therefore, act not only as electron reservoirs, but also as a buffer for the oxidation state of the metal.