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Metal Ion Modulated Torsion Angle in a Ditopic Oligothiophene Ligand: Toward Supramolecular Control of pi Conjugation

hal.structure.identifierDepartment of Chemistry
dc.contributor.authorLUKOVSKAYA, Elena
hal.structure.identifierDepartment of Chemistry
dc.contributor.authorBOBYLYOVA, Alla
hal.structure.identifierA. N. Nesmeyanov Institute of Organoelement Compounds [INEOS]
dc.contributor.authorFEDOROV, Yuri V.
hal.structure.identifierDepartment of Chemistry
dc.contributor.authorMAKSIMOV, Anton
hal.structure.identifierDepartment of Chemistry
dc.contributor.authorANISIMOV, Alexander
hal.structure.identifierDepartment of Chemistry
hal.structure.identifierA. N. Nesmeyanov Institute of Organoelement Compounds [INEOS]
dc.contributor.authorFEDOROVA, Olga
hal.structure.identifierCentre de physique moléculaire optique et hertzienne [CPMOH]
dc.contributor.authorJONUSAUSKAS, Gediminas
hal.structure.identifierCentre Interdisciplinaire de Nanoscience de Marseille [CINaM]
dc.contributor.authorFAGES, Frédéric
dc.date.created2010-05-04
dc.date.issued2010-10-04
dc.identifier.issn1439-4235
dc.description.abstractEnA pi-conjugated oligomer bearing two 15-crown-5-containing styryl moieties connected at the inner p positions of the terminal thiophene nuclei can adopt either a U or a Z shape depending on the structures of its complexes with magnesium and barium ions. We show that barium cations lead to the formation of a mononuclear complex in solution, which causes the system to fold into the U shape. Magnesium ions lead to the same effect at low concentration, but force the ligand to adopt the Z-shaped geometry at high concentrations favoring formation of a binuclear complex. These geometrical reorganizations in solution are accompanied by profound changes in spectroscopic properties, which can be rationalized in terms of variations in the extent of electron delocalization along the oligothiophene backbone. The effects are analyzed by mass spectrometry and H-1 NMR, UV/Vis absorption, and fluorescence spectroscopy in the steady-state and time-resolved regimes. The experimental results are compared to data calculated by using MOPAC2007 with the PM6 Hamiltonian including the COSMO salvation model.
dc.language.isoen
dc.publisherWiley-VCH Verlag
dc.title.enMetal Ion Modulated Torsion Angle in a Ditopic Oligothiophene Ligand: Toward Supramolecular Control of pi Conjugation
dc.typeArticle de revue
dc.identifier.doi10.1002/cphc.201000356
dc.subject.halPhysique [physics]/Physique [physics]/Chimie-Physique [physics.chem-ph]
bordeaux.journalChemPhysChem
bordeaux.page3152-3160
bordeaux.volume11
bordeaux.issue14
bordeaux.peerReviewedoui
hal.identifierhal-00671167
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00671167v1
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