Dalton Transactions · 2003 · 30 citations · 21 references
Natural SciencesChemistryMaterials ScienceCrystal StructureInorganic ChemistrySolid-state ChemistryCluster ChemistryCluster CompoundsCoordination ChemistryCrystal ChemistryTransition Metal ComplexesX-ray CrystallographyElectronic Structure AnalysisLanthanide ComplexesLanthanide Coordination ChemistryLanthanide Organometallic ChemistryMolecular Structure DeterminationOrganometallic ComplexesTetrahedral ComplexesTetrahedral Coordination
Treatment of the tetrahedral, tetranuclear gallium(I) cluster compound Ga4[C(SiMe3)3]4 (5) with a mixture of AlI3 and ICl afforded in 58% yield the yellowish dinuclear digallium(II) compound Ga2I2[C(SiMe3)3]2 (6), an X-ray crystallographic study of which has shown it to contain a nonplanar (symmetry C2) Ga2I2C2 skeleton and two three-coordinate gallium(II) atoms linked by a single gallium–gallium bond. DFT calculations on 6 and related compounds with alternative structures and the molecular structure of the organogallium(III) iodide, Ga2I4[C(SiMe3)3]2 (7) are also described and discussed.
21
Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
<i>Ab initio</i> energy-adjusted pseudopotentials for elements of groups 13–17
Andreas Bergner, Michael Dolg, W. Küchle et al. · Molecular Physics · 1993 · 2.8K citations
Natural Sciences, Chemistry, Physics +13