Computational Investigations of Metal–Metal Bonding in Molecular Thorium Compounds and Ce and Group IV Analogues来源：ACS PublicationsWe report quantum chemical investigations of metal–metal bonding in molecular thorium clusters and compare them with cerium and group IV transition metal analogues. We explore periodic trends in metal–metal bonding and the roles of electron delocalization, orbital diffuseness, and oxidation state. As cluster size increases in the series [{Th(η8-COT)Cl2}nK2] (COT = C8H8, n = 2–5, 2–5) and [Th4Cl4(η8-COT)4]2+ (T), n-center-2-electron bonding weakens. Quantum theory o...
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2025
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来源：ACS PublicationsThe reaction between isophthalic acid (H2L1) and Gd(NO3)3·6H2O leads to the formation of a two-dimensional (2D) extended framework with the molecular formula [Gd2(L1)3(H2O)2]n (1). Complex 1 crystallizes in monoclinic space group P21/n. The compound undergoes a reversible crystalline-to-amorphous phase transition. Magnetic susceptibility measurements on a polycrystalline sample of 1 reveal a weak ferromagnetic interaction between the Gd(III) centers below 20 K. Analysis of the magnetic data using the Fisher chain model indicates an exchange interaction strength (J) of +...
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2025
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来源：ACS PublicationsA straightforward synthesis of Cp*2Sc(AlMe4) (Cp* = C5Me5) applying Cp*2ScCl(thf) and LiAlMe4/AlMe3 is described. Donor-assisted trimethyltriel exchange gives access to Cp*2Sc(EMe4) (E = Ga, In), which represent the first scandium tetramethylgallate and tetramethylindate complexes. Thermal treatment of Cp*2Sc(EMe4) (E = Ga, In) in benzene leads to the isolation of methylidene clusters Cp*6Sc4E8(CH2)12Me6 (E = Ga, In). This methyl group deprotonation differs from the benzene activation previously observed for Cp*2Y(EMe4) (E = Al, Ga). Treatment of Cp*2Sc(EMe4) (E = Al, Ga) wi...
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2025
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Zero-Field Single Molecular Magnet Behavior of Selenotungstate-Encapsulated Dy(III) Tetramers 来源：ACS PublicationsTwo tartaric acid-bridged organic–inorganic hybrid Dy(III)-substituted selenotungstates [HN(CH3)2]2K8Na14[(α-SeW9O33)4Dy4(H2O)4W6(tart)4O12]·33H2O (1) and K16[(α-SeW9O33)4Dy4(H2O)12W6(tart)2O12]·42H2O (2) are synthesized by controlling the reaction parameters such as counter cations and pH. Tetrameric polyoxoanions 1 and 2 consist of four trivacant Keggin [α-SeW9O33]8– fragments, which encapsulate the heterometallic clusters [Dy4(H2O)4W6(tart)4O12]12+ and [Dy4(H2O)12W...
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2025
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