Analysis of the association constants for charge-transfer complex formation

作者: William D. McKim , Jayanta Ray , Bradley R. Arnold

DOI: 10.1016/J.MOLSTRUC.2012.08.015

关键词: SolventComputational chemistryBenzoquinoneEquilibrium constantPyromellitic dianhydrideChemistryCharge-transfer complexAbsorption spectroscopyStereochemistryTetracyanoethyleneAbsorption (chemistry)

摘要: Abstract The phenomenon of charge transfer (CT) complex formation has been interest for more than 50 years and led to the development numerous applications. Even with prolonged in these complexes interactions responsible have yet be fully characterized remain an area sustained relevance. This report outlines measurement association constants CT a series methylated benzene donors tetracyanoethylene, pyromellitic dianhydride, 2,3-dichloro-5,6-dicyano- p -benzoquinone, 1,2,4,5-tetracyanobenzene acceptors 1,2-dichloroethane solvent. evaluation position absorption maximum magnitudes within theoretical model is described. influence solvent polarity on was also discussed. These studies show that non-bonding are important most while ion-pair play significant role select few studied.

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