Regis Gautier

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The bottom-up synthesis of organometallic zinc clusters is described. The cation {[Zn10](Cp*)6 Me}(+) (1) is obtained by reacting [Zn2 Cp*2] with [FeCp2][BAr4 (F)] in the presence of ZnMe2. In the presence of suitable ligands, the high reactivity of 1 enables the controlled abstraction of single Zn units, providing access to the lower-nuclearity clusters(More)
The structure of scandium dirubidium pentadecamolybdenum nonadecasulfide, Sc(0.43(2))Rb(2)Mo(15)S(19), constitutes a partially Sc-filled variant of Rb(2)Mo(15)S(19) [Picard, Saillard, Gougeon, Noel & Potel (2000), J. Solid State Chem. 155, 417-426]. In the two compounds, which both crystallize in the R ̅3c space group, the structural motif is characterized(More)
Solid-state (95)Mo nuclear magnetic resonance (NMR) properties of molybdenum hexacarbonyl have been computed using density functional theory (DFT) based methods. Both quadrupolar coupling and chemical shift parameters were evaluated and compared with parameters of high precision determined using single-crystal (95)Mo NMR experiments. Within a molecular(More)
The novel structure-type Ag(2.54)Tl(2)Mo(12)Se(15) (silver thallium molybdenum selenide) is built up of Mo(6)Se(i)(8)Se(a)(6) and Mo(9)Se(i)(11)Se(a)(6) cluster units in a 1:2 ratio, which are three-dimensionally connected to form the Mo-Se network. The Ag and Tl cations are distributed in several voids within the cluster network. Three of the seven(More)
This article presents results of first-principles calculations of quadrupolar parameters measured by solid-state nuclear magnetic measurement (NMR) spectroscopy. Different computational methods based on density functional theory were used to calculate the quadrupolar parameters. Through a series of illustrations from different areas of solid state inorganic(More)
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