title: Conformationally modulated intramolecular electron transfer process in a diaza[2,2]ferrocenophane.
abstract: A novel conformationally modulated Intramolecular Electron Transfer (IET) phenomenon has been observed due to the cyclic structure of the diaza[2.2]ferrocenophane 3. The corresponding mixed-valence compound of 3, prepared by electrochemical or chemical partial oxidation, interestingly shows the appearance of two absorption bands in the near infrared (NIR) spectral region. These bands are attributable to two intervalence charge-transfer transitions associated to two atropoisomers exhibiting different energy for the IET process. A solvent and temperature control over the atropoisomeric equilibrium have also been observed. The experimental data and conclusions about both the conformational and the electronic properties of compound 3 are also supported by density functional theory calculations.
authors.affiliation: Molecular Nanoscience and Organic Materials Department, Institut de Ciència de Materials de Barcelona (CSIC)/CIBER-BBN, Campus Universitari de Bellaterra, E-08193, Cerdanyola, Spain.
authors.forename: Francisco
authors.initials: F
authors.lastname: Otón
authors.forename: Imma
authors.initials: I
authors.lastname: Ratera
authors.forename: Arturo
authors.initials: A
authors.lastname: Espinosa
authors.forename: Alberto
authors.initials: A
authors.lastname: Tárraga
authors.forename: Jaume
authors.initials: J
authors.lastname: Veciana
authors.forename: Pedro
authors.initials: P
authors.lastname: Molina
mesh_terms: D004579:Electron Transport; D005296:Ferrous Compounds / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation
chemical_list: D005296:Ferrous Compounds; C550595:diaza(2,2)ferrocenophane