A new synthetic method allows isolating fluoride-bridged complexes Bu4N{[M(3NO2,5Br-H3L1,1,4)]2(μ-F)} (M = Dy, 1; M = Ho, 2; M = Gd, 3) and Bu4N{[Dy(3Br,5Cl-H3L1,2,4)]2(μ-F)}·2H2O, 4·2H2O. The crystal structures of 1·5CH3C6H5,·2·2H2O·0.75THF, 3, and 4·2H2O·2THF show that all of them are dinuclear compounds with linear single fluoride bridges and octacoordinated metal centers. Magnetic susceptibility

The protonation of several Ni-centered pyridine-2-thiolate photocatalysts for hydrogen evolution is investigated using X-ray absorption spectroscopy (XAS). While protonation of the pyridinethiolate ligand was previously thought to result in partial dechelation from the metal at the pyridyl N site, we instead observe complete dissociation of the protonated ligand and replacement by solvent molecules

The cluster [Co38As12(CO)50]4– was obtained by pyrolysis of [Co6As(CO)16]−. The metal cage features a closed-packed core inside a Co/As shell that progressively deforms from a cubic face-centered symmetry. The redox and acid–base reactivities were determined by cyclic voltammetry and spectrophotometric titrations. The calculated electron density revealed the shell-constrained distribution of the atomic

A series of acetylacetone-protected lanthanide–titanium–oxo clusters (LTOCs), formulated as [La6Ti(μ3-OH)8(acac)12(CH3O)2(CH3OH)6] (La6Ti; Hacac = acetylacetone) and [Ln9Ti2(μ4-O)(μ3-OH)14(acac)17(CH3O)2(CH3OH)3] [Ln = Eu (Eu9Ti2) and Tb (Tb9Ti2)], were synthesized through the reactions of LnCl3·6H2O (Ln = La, Eu, and Tb), Hacac, Ti(OiPr)4, and triethylamine in methanol. Crystal structural analysis

We have synthesized Pb[C2O5], an inorganic pyrocarbonate salt, in a laser-heated diamond anvil cell (LH-DAC) at 30 GPa by heating a Pb[CO3] + CO2 mixture to ≈2000(200) K. Inorganic pyrocarbonates contain isolated [C2O5]2– groups without functional groups attached. The [C2O5]2– groups consist of two oxygen-sharing [CO3]3– groups. Pb[C2O5] was characterized by synchrotron-based single-crystal structure

Revealing the interaction between electrons and phonons, e.g., electron–phonon coupling or decoupling, is a great challenge for physics and functional material communities. For rare-earth single crystals, the electron–phonon coupling and fluorescence behaviors strongly depend on the crystal structure and constituent motifs. Here, we proposed a universal “quasi-free O” as an effective structural motif

The IrIII/NiII-metallaphotoredox-catalyzed enantioselective decarboxylative arylation of α-amino acids has been systematically investigated using density functional theory calculations. The combination of oxidative quenching (IrIII–*IrIII–IrIV–IrIII) or reductive quenching (IrIII–*IrIII–IrII–IrIII) cycle with the nickel catalytic cycle (NiII–NiI–NiIII–NiII) is possible. The favorable reaction mechanism

A substituent decorating strategy for modification of the functional cavity is of great importance in the design of metal–organic frameworks (MOFs). Herein, three new isostructural cationic MOFs, [Cu3(Xpip)2]·NO3·nH2O (Xpip stands for X-substituted phenylimidazophenanthroline, where X = adm (SCNU-2), f (SCNU-3), and none for SCNU-4), have been successfully synthesized and shown gyroidal utc-c topology

The recently reported compound [DyIIILF](CF3SO3)2·H2O (L = 1,4,7,10-tetrakis(2-pyridylmethyl)-1,4,7,10-tetraaza-cyclododecane) displays a strong axial magnetic anisotropy, due to the short axial Dy–F bond, and single-molecule magnet (SMM) behavior. Following our earlier [DyIIILF]2+ work, herein we report the systematic structural and magnetic study of a family of [LnIIILF](CF3SO3)2·H2O compounds (Ln(III)

Two new series of unsymmetrically β-functionalized porphyrins, MTPP(NO2)MA (1M), (MA = methyl acrylate) and MTPP(NO2)MB (2M) (MB = mono-benzo) (where M = 2H, Co(II), Ni(II), Cu(II) and Zn(II)), were synthesized and characterized by various spectroscopic techniques. The saddle shape conformation of ZnTPP(NO2)MAPy and ZnTPP(NO2)MB was confirmed by single-crystal X-ray analysis. Density functional theory

We present the synthesis of a novel binary metal oxide material: Ba7Mn4O15. The crystal structure has been investigated by high-resolution powder synchrotron X-ray diffraction in the temperature range of 100–300 K as well as by powder neutron diffraction at 10 and 80 K. This material represents an isostructural barium-substituted analogue of the layered material Sr7Mn4O15 that forms its own structural

The H-cluster is the catalytic cofactor of [FeFe]-hydrogenase, a metalloenzyme that catalyzes the formation of dihydrogen (H2). The catalytic diiron site of the H-cluster carries two cyanide and three carbon monoxide ligands, making it an excellent target for IR spectroscopy. In previous work, we identified an oxidized and protonated H-cluster species, whose IR signature differs from that of the oxidized

A series of novel Cd metal–organic frameworks (MOFs) (1–9) with different extended spacers with seven kinds of the aliphatic dicarboxylic acids as secondary building linkers based on N,N′-di(4-pyridylacylamino)-1,4,5,8-naphthalenediimide (NDI-A) have been designed and synthesized by changing the volume ratio of solvents under solvothermal conditions. In addition, the secondary building linkers of aliphatic

Aurivillius phases are an important class of inorganic compounds as they often show ferroelectric properties, and some members of this family are used in nonvolatile ferroelectric memories. The majority of Aurivillius phases have nonmagnetic d0 cations in the perovskite block. Bi4Ti3O12 is the best-known and extensively studied compound within this family. Here, using a high-pressure, high-temperature

In recent times, the fabrication of noble metal-based catalysts with controllable morphologies has become a research hotspot. Electrocatalytic devices with excellent catalytic performance and enhanced durability for the ethylene glycol oxidation reaction (EGOR) and the glycerol oxidation reaction (GOR) are significant for commercial direct fuel cells. Herein, a series of PdPb sea urchin-like nanodendrite

Indolo[3,2-d][1]benzazepines (paullones), indolo[3,2-d][2]benzazepines, and indolo[2,3-d][2]benzazepines (latonduines) are isomeric scaffolds of current medicinal interest. Herein, we prepared a small library of novel indolo[3,2-d][2]benzazepine-derived ligands HL1–HL4 and copper(II) complexes 1–4. All compounds were characterized by spectroscopic methods (1H and 13C NMR, UV–vis, IR) and electrospray

Reaction of the elements yielded Ca3Pt4Bi8 and CaPtBi, which are, to the best of our knowledge, the first reported ternary Ca–Pt–Bi compounds. The compounds crystallize isostructural to the Pd analogs Ca3Pd4Bi8 (own structure type) and CaPdBi (TiNiSi structure type), respectively. Employing a multistep temperature treatment allows for the growth of mm-sized single crystals of Ca3Pd4Bi8 and Ca3Pt4Bi8

We report an ion-exchanged zeolite as an excellent candidate for large-scale application in hydrogen isotope separation. Ag(I)-exchanged zeolite Y has been synthesized through a standard ion-exchange procedure. The D2/H2 separation performance has been systematically investigated via thermal desorption spectroscopy (TDS). Undercoordinated Ag+ in zeolite AgY acts as a strong adsorption site and adorbs

We present a comprehensive study on the diphosphanation of iso(thio)cyanates by unsymmetrical diphosphanes. The reactions involving unsymmetrical diphosphanes and phenyl isocyanate or phenyl thioisocyanate gave rise to phosphanyl, phosphoryl, and thiophosphoryl derivatives of amides, imines, and iminoamides. The structures of the diphosphanation products were confirmed through NMR spectroscopy, IR