Synthesis of Molecular Motors Incorporating para??Phenylene??Conjugated or Bicyclo [2.2. 2] octane??Insulated Electroactive Groups

G Vives, A Gonzalez, J Jaud, JP Launay…

Index: Vives, Guillaume; Gonzalez, Alexandre; Jaud, Joel; Launay, Jean-Pierre; Rapenne, Gwenael Chemistry - A European Journal, 2007 , vol. 13, # 19 p. 5622 - 5631

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Citation Number: 34

Abstract

Abstract The insulating role of the bicyclo [2.2. 2] octane fragment has been theoretically evaluated by comparing the electronic coupling parameter (V ab) in 1, 4-bis (ferrocenyl) benzene (1) and 1, 4-bis (ferrocenyl) bicyclo [2.2. 2] octane (2). The geometries were optimized by DFT and an extended Hückel calculation was performed to evaluate V ab by the dimer splitting method. The calculations showed a 12-fold decrease of the electronic ...