Jean-Claude Bunzli - Theoretical modelling of the low quantum yield observed in an Eu(III) triple helical complex with a tridentate aromatic ligand

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  Publication Details (including relevant citation   information):

  Silva,F.R.G.E., Longo,R., Malta,O.L., Piguet,C., Bunzli,J.C.G.   Physical Chemistry Chemical Physics  2000 2 (23) 5400-5403

  Abstract: The dramatic decrease in the quantum   yield of the Eu-centered luminescence recently observed in going   from [Eu(NO3)(3)L(MeOH)] (2.8%) to the triple helical   [Eu(L)(3)](ClO4)(3) complex (8.2 x 10(-5)%) prompted us to   perform a theoretical analysis in order to find out which   parameter might be responsible for this quenching. In particular,   we explore the influence of a resonance between a ligand-to-metal   charge-transfer state (LMCT) and the (1)pi pi* and/or (3)pi pi*   states on the emission quantum yield. A good agreement between   the theoretical and experimental values is reached when high   rates for non-radiative deactivation on the ligand are considered   and, for the 1 : 3 complex, when a LMCT state close in energy to   the ligand (1)pi pi* state is taken into account. This type of   modelling opens the way for a better predictability of the   photophysical properties of luminescent europium-containing   edifices

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