0000000000991283

AUTHOR

Larry Engelhardt

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Studies of a molecular hourglass: synthesis and magnetic characterisation of a cyclic dodecanuclear {Cr10Cu2} complex.

2006

The synthesis, structure, EPR, and magnetic studies of two dodecanuclear heterometallic cyclic clusters are reported. The compounds have the general formula [R(2)NH(2)](2)[Cr(10)Cu(2)F(14)(O(2)CCMe(3))(22)] (R=Me, 1 or iPr, 2). Both structures contain an array of metal centers which describe an approximate "hourglass", with an ammonium cation in the center of each half of the figure. The chromium sites are all six-coordinate, with the two copper sites five-coordinate. The majority of metal-metal edges are bridged by a single fluoride and two pivalate ligands, while two Cr--Cu edges are bridged by a single fluoride and a single pivalate. Magnetic studies show that 1 and 2 exhibit similar (bu…

ChemistryQuantum Monte CarloOrganic ChemistryGeneral ChemistryRing (chemistry)Catalysislaw.inventionCrystallographyFerromagnetismAb initio quantum chemistry methodsComputational chemistrylawExcited stateAntiferromagnetismGround stateElectron paramagnetic resonanceChemistry (Weinheim an der Bergstrasse, Germany)
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