The Relationship between Redox Potentials and Torsional Angles in 4,4’-Dimethyl N, N’-Alkylidene 2,2’-Bipyridinium Salts
نویسنده
چکیده
The redox potentials of 4,4’-dimethyl-N’N’-alkylidene bridged 2,2’-bipyridinium salts derivatives (DBPAs) can be controlled by changing the N, N’-alkylidene bridge length which changes the conformation of the DBPAs.. In this paper, the torsional angles between the two pyridine rings and the molecular energy of DBPAs are calculated using a PC based software package (AccuModel 1.2). The relationship between torsional angle and N, N’alkylidene bridge length is discussed. The molecular energy of DBPAs can also be related to the torsional angles (or N, N’-alkylidene bridge size). Some DBPAs had been synthesized and their redox potentials measured. The difference in potential between ethylene and propylene bridged DBPAs is large enough to make a organic diode through bilayer modified electrode.
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