Conformations of Banana-Shaped Molecules Studied by 2H NMR Spectroscopy in Liquid Crystalline Solvents (Articolo in rivista)

Type
Label
  • Conformations of Banana-Shaped Molecules Studied by 2H NMR Spectroscopy in Liquid Crystalline Solvents (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Alternative label
  • Calucci L. , C. Forte, K. Fodor-Csorba, B. Mennucci, S. Pizzanelli (2007)
    Conformations of Banana-Shaped Molecules Studied by 2H NMR Spectroscopy in Liquid Crystalline Solvents
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Calucci L. , C. Forte, K. Fodor-Csorba, B. Mennucci, S. Pizzanelli (literal)
Pagina inizio
  • 53 (literal)
Pagina fine
  • 61 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 111 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • IPCF-CNR, PIsa; Research Institute for solid state physics andoptics , Hungarian Academy of science, Budapest, Hungary IPCF-CNR, PIsa; Dipartimento di Chimica e Chimica Industriale, Università di Pisa; (literal)
Titolo
  • Conformations of Banana-Shaped Molecules Studied by 2H NMR Spectroscopy in Liquid Crystalline Solvents (literal)
Abstract
  • ClPbis11BB and Pbis11BB, two banana-shaped mesogens differing by a Cl substituent on the central Ph ring, show a nematic and a B2 phase, respectively. To obtain information on the structural features responsible for their different mesomorphic behavior, a study of the preferred conformations of these mesogens was performed by NMR spectroscopy in two nematic media (Phase IV and ZLI1167), which should mimic the environment of the molecules in their own mesophases, avoiding problems of sample alignment by a magnetic field. To this aim, 2H NMR expts. were performed on selectively deuterated isotopomers of ClPbis11BB and Pbis11BB and of two parent molecules, ClPbisB and PbisB, assumed as models in previous theoretical and experimental conformational studies. Only a limited number of conformations is compatible with experimental data, often very different from those inferred from theoretical calculations in vacuo, indicating a strong influence of the liquic crystalline environment on molecular conformation. No significant differences between chlorinated and nonchlorinated molecules were found, this suggesting that Cl does not change the molecular conformational equilibrium, as previously proposed. (literal)
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