The Relationship between Redox Potentials and Torsional Angles in 4,4’-Dimethyl N, N’-Alkylidene 2,2’-Bipyridinium SaltsReport as inadecuate


The Relationship between Redox Potentials and Torsional Angles in 4,4’-Dimethyl N, N’-Alkylidene 2,2’-Bipyridinium Salts


The Relationship between Redox Potentials and Torsional Angles in 4,4’-Dimethyl N, N’-Alkylidene 2,2’-Bipyridinium Salts - Download this document for free, or read online. Document in PDF available to download.

Department of Chemistry, Qingdao University, Qingdao 266071, P.R. China





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Abstract 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. View Full-Text

Keywords: 4; 4’-dimethyl-2; 2’-bipyridine N; N’-alkylene derivatives; energy minimization; calculation of geometry parameters 4; 4’-dimethyl-2; 2’-bipyridine N; N’-alkylene derivatives; energy minimization; calculation of geometry parameters





Author: Yijun Wang and Wenyuan Zhao *

Source: http://mdpi.com/



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