UV–Vis absorption spectra of one-electron reduction products and MLCT excited states of [ReCl(CO)3(N,N)] (N,N = 2,20-bipyridine, bpy; 1,10-phenanthroline, phen) have been measured by low-temperature spectroelectrochemistry and UV–Vis transient absorption spectroscopy, respectively, and assigned by open-shell TD-DFT calculations. The characters of the electronic transitions are visualized and an...

Micron-sized metal–organic framework (MOF) sheets were prepared using organic molecules with aggregation-induced emission (AIE) properties as ligands. The intermolecular ligand-to-metal charge transfer (LMCT) process occurs in MOF structures, resulting the disappearance of matrix coordination-induced (MCIE) effect and emergence aggregation-caused quenching (ACQ) effect. Here, we demonstrate tha...

Two derivatives of organouranyl mononuclear complexes [UO2(L)THF] (1) and [UO2(L)Alc] (2), where L = (2,2'-(1E,1'E)-(2,2-dimethylpropane-1,3-dyl)bis(azanylylidene, THF = Tetrahydrofuran, Alc = Alcohol), have been prepared. These complexes have been determined by elemental analyses, single crystal X-ray crystallography and various spectroscopic studies. Moreover, the structure of these complexes...

The time-of-flight mass spectra of tris(2,2,6,6-tetramethyl-3,5-heptanedionato) lanthanide(III) [or Ln(thd)3 with Ln = Eu, Tb, Gd] produced by laser-induced multiphoton ionization in a supersonic expansion were studied as a function of laser excitation wavelength. Resonance-enhanced multiphoton ionization (REMPI), monitoring the Eu(I) ion signal from gas-phase Eu(thd)3, was observed in three di...

Z. Naturforsch. 54 b, 1147-1154 (1999); received June 2, 1999 Dinuclear Complexes, NIR Dyes, Cobalt, Tripodal Ligands, Bridging Ligands Dinuclear Co(III) complexes of the type [(triphos)Co(C6X2Z' Z2Z3Z4)Co(triphos)]2+ (Z1 ~4 = O, NR, S; R = H, Me; X = H, Cl, Br, I; 1 62+) have been prepared and characterized by MS, IR, NMR, cyclovoltammetric and UV/VIS/NIR measurements and by X-ray analyses (12...

six new complexes of the type trans-[lco((do)(doh)pn)l'] where (do)(doh)pn= n2, n2'-propanediolbis (2,3-butanedione 2-imine 3-oxime), l-cl¯ and l'=mono-anaion of phenylcyanamide (pcyd), 2,5-dichlorophenylcyanamide (2,5-cl2 pcyd), 2,4-dimethyl pehylcyanamide (2,4-me2 pcyd) and l=l'=pcyd, 2,5-cl2 pcyd, 2,4-me2 pcyd, have been synthesized and characterized by elemental analysis, spectroscopy and c...

The electronic structures of iron and manganese oxide and related minerals are investigated using Self-Consistent Field Xa Scattered Wave molecular orbital calculations on finite atomic clusters. Calculations on Fe0 6, FeO4, MnO6 and Fe04(OH)2 coordination polyhedra are used to investigate the nature of chemical bonds, electronic spectra, magnetism, and mechanisms of electron transport in these...

Generally, metal-centered ff states dominate the discussion of the excited state properties of lanthanide complexes. In particular, the luminescence properties of Eu(III) and Tb(III) compounds have been studied in great detail for many decades. However, other types of excited states such as MC fd, MLCT, LMCT, MMCT and IL are also of interest. In this context, we have recently examined the excit...

We report the synthesis of penicillamine-protected Ag20 nanoclusters (NCs), with properties of high monodispersity, red fluorescence and water solubility. Full characterization of the Ag20 NCs is addressed, along with first-principles optimization calculations, revealing the chemical composition and structure of the as-prepared Ag NCs within a molecular formula [Ag20(DPA)18-H]-. Moreover, natur...

A sequential photocatalytic strategy is developed via the merger of Cu(II)/Cu(I)-catalytic cycles for oxoallylation vinyl arenes α-haloketones. The initial Cu(II)-photocatalyzed oxohalogenation exploits ligand-to-metal charge transfer (LMCT) to generate halide radicals from acyl halides utilizing air as a terminal oxidant and can be employed late-stage modification pharmaceuticals agrochemicals...