Lamhasni, T. and Ait Lyazidi, S. and Hnach, M. and Haddad, M. and Desmaële, D. and Spanget-Larsen, J. and Nguyen, D.D. and Ducasse, L. (2013) Photo-physics study of an hydroxy-quinoline derivative as inhibitor of Pim-1 kinase: Ultraviolet-visible linear dichroism spectroscopy and quantum chemical calculations. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 113. pp. 452-458.

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(Table Presented) The photophysical properties of the antiviral 7-nicotinoyl-styrylquinoline (MB96) were investigated by means of UV-Vis linear dichroism (LD) spectroscopy on molecular samples aligned in stretched polyvinylalcohol (PVA), supported by time dependent density functional theory (TD-DFT) calculations. Experimentally, the directions of the transitions moments with respect to the long axis of the molecule were deduced from the orientation K factors, determined by means of "trial-and-error" procedure. The absorption spectrum presents two parts. The main transition in the lowest energy part, observed around 365 nm and showing the highest K value 0.8, is longitudinally in-plane polarized. The highest energy part which is extended between 230 and 320 nm, large, diffuse, and of weak intensity, shows estimated K values between 0.2 and 0.5. This complex structure is transversally polarized with some contamination by the longitudinal character of the first strong band. The TD-DFT results agree fairly well with the LD measurements. © 2013 Elsevier B.V. All rights reserved.

Item Type: Article
Uncontrolled Keywords: Absorption spectroscopy; Dichroism; Quantum chemistry, Orientation factors; Stretched PVA; Styrylquinoline; Td-dft calculations; Transition moments; UV-Vis LD, Density functional theory
Subjects: Chemistry
Divisions: SCIENTIFIC PRODUCTION > Chemistry
Depositing User: Administrateur Eprints Administrateur Eprints
Last Modified: 31 Jan 2020 15:45

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