Synthesis and Crystal Structure of the Azide K4[Re6Sei8(N3)a6]*4H2O; Luminescence, Redox, and DFT Investigations of the [Re6Sei8(N3)a6]4- Cluster Unit - Université de Rennes Accéder directement au contenu
Article Dans Une Revue Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie Année : 2013

Synthesis and Crystal Structure of the Azide K4[Re6Sei8(N3)a6]*4H2O; Luminescence, Redox, and DFT Investigations of the [Re6Sei8(N3)a6]4- Cluster Unit

Aurore Gandubert
  • Fonction : Auteur
  • PersonId : 769598
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Konstantin A. Brylev
  • Fonction : Auteur
Thi Thuong Nguyen
  • Fonction : Auteur
Nikolai G. Naumov
  • Fonction : Auteur
Noboru Kitamura
  • Fonction : Auteur
Yann Molard

Résumé

The reaction of K4[Re6Sei8(OH)a6]*8H2O with NaN3 in water results in the formation of [Re6Sei8(N3)a]4- units that crystallize with K+ and H2O to form K4[Re6Sei8(N3)a6]*4H2O [P21/c (N°14), a = 9.0595(3) Å, b = 13.2457(4) Å, c = 13.2040(5) Å, β = 94.472(1)°]. In the solid state, the unit is characterized by N3 linear groups forming bond angles of roughly 120° with the Re6 cluster. The positions of the νas and νsy bands as well as N-N-N deformation modes of the N3 groups are discussed. Luminescence properties of the [Re6Sei8(N3)a]4- unit were measured in the solid state and in an acetonitrile solution. The redox potential of the [Re6Sei8(N3)a]4-/[Re6Sei8(N3)a]3- system was measured in acetonitrile. Experimental results were analyzed in the light of density functional theory calculations.

Dates et versions

hal-00874175 , version 1 (17-10-2013)

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Aurore Gandubert, Konstantin A. Brylev, Thi Thuong Nguyen, Nikolai G. Naumov, Noboru Kitamura, et al.. Synthesis and Crystal Structure of the Azide K4[Re6Sei8(N3)a6]*4H2O; Luminescence, Redox, and DFT Investigations of the [Re6Sei8(N3)a6]4- Cluster Unit. Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie, 2013, 639 (10), pp.1756-1762. ⟨10.1002/zaac.201300151⟩. ⟨hal-00874175⟩
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