Chimie Théorique Inorganique

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UR1 Professor Emeritus

Institut des Sciences Chimiques de Rennes UMR 6226
Université de Rennes 1
Campus de Beaulieu
35042 Rennes, France

Building 10B, Desk 212
Phone: +33 (0)

Research themes

Theoretical study of f-element complexes and of spectroscopic, luminescence and NLO properties of inorganic complexes.


  • DFT
  • f-element complexes
  • luminescence
  • NLO

Selected publications

  • UIII-CN versus UIV−NC Coordination in Tris(silylamide) Complexes
    A. Hervé, Y. Bouzidi, J.-C. Berthet, L. Belkhiri, P. Thuéry, A. Boucekkine, M. Ephritikhine
    Inorg. Chem. 2015, 54, 2474
  • Second-Order NLO Switches from Molecules to Polymer Films Based on Photochromic Cyclometalated Platinum(II) Complexes
    J. Boixel, V. Guerchais, H. Le Bozec, D. Jacquemin, A. Amar, A. Boucekkine, A. Colombo, C. Dragonetti, D. Marinotto, D. Roberto, S. Righetto, R. De Angelis
    J. Am. Chem. Soc. 2014, 136, 5367
  • Selectivity of Azine Ligands Toward Lanthanide(III)/Actinide(III) Differentiation: A Relativistic DFT Based Rationalization.
    A. Zaiter, A. Boudersa, Y. Bouzidi, L. Belkhiri, A. Boucekkine, M. Ephritikhine
    Inorg. Chem. 2014, 53, 4687
  • Aggregation Effect on the Luminescence Properties of Phenyl Bipyridine Pt(II) Acetylide Complexes. A Theoretical Prediction with Experimental Evidence.
    A. Amar, H. Meghezzi, J. Boixel, H. Le Bozec, V. Guerchais, Denis Jacquemin, A. Boucekkine
    J. Phys. Chem. A 2014, 118, 6278
  • Chemical Au-Au bonding induced by UV irradiation of dinuclear Gold(I) complexes. A computational study with experimental evidence
    C. Latouche, Y.-R. Lin, Y. Tobon, E. Furet, J.-Y. Saillard, C.-W. Liu, A. Boucekkine,
    Phys. Chem. Chem. Phys. 2014, 16, 25840

Publications referenced in HAL