Structural ordering is widely present in molecules and materials. However, the organization of molecules on the curved surface of nanoparticles is still the least understood owing to the major limitations of the current surface characterization tools. By the merits of x-ray crystallography, we reveal the structural ordering at all scales in a super robust 133-gold atom nanoparticle protected by...

Molecular (DME)2Tm(SC6F5)3 and tetrametallic (DME)4(μ2-SPh)8Tm4(SPh)4 have been isolated in high yield and characterized by conventional methods. The fluorinated thiolate has an eight-coordinate Tm(III) ion bound to three sulfur atoms from the thiolates, four oxygen donors from the THF ligands, and a relatively weak dative Tm-F interaction with a 2.842(3)Å Tm-F separation. The benzenethiolate c...

Monomeric Cu(I) amido and thiolate complexes that are supported by the N-heterocyclic carbene ligand 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene (IPr) catalyze the hydroamination and hydrothiolation of electron-deficient vinylarenes with reactivity patterns that are consistent with an intermolecular nucleophilic addition of the amido/thiolate ligand of (IPr)Cu(XR) (X = NH or S; R = Ph, CH2...

A simple strategy has been developed to synthesize highly luminescent thiolated Au@Ag nanoclusters (NCs) by using Ag(i) ions to bridge small Au(i)-thiolate motifs on the weakly luminescent thiolated Au NCs, leading to the formation of large Au(i)/Ag(i)-thiolate motifs on the NC surface and thus generating strong luminescence via aggregation-induced emission.

Nanomaterials which exhibit both stability and functionality are currently considered to hold the most promise as components of nanotechnology devices. Thiolate (RS)-protected gold nanoclusters (Aun(SR)m) have attracted significant attention in this regard and, among these, the magic clusters are believed to be the best candidates since they are the most stable. We have investigated the effects...

A series of nonstoichiometric CdSe clusters with lowest energy electronic absorptions between 409 - 420 nm has been prepared from cadmium 1-naphthoate, 2-naphthoate, 4-thiomethyl-1-naphthaote, and 1-naphthalene thiolate complexes and diphenylphosphine selenide (DPPSe). Pair distribution function analysis of X-ray diffraction data, ligand exchange experiments, and NMR molecular weight analyses s...

The molecular mechanism of H(2) activation by two transition metal thiolate complexes [Cp*M(PMe(3))(SDmp)](BAr(F)(4)) (M = Ir, Rh) (Ohki, Y; Sakamoto, M; Tatsumi, K. J. Am. Chem. Soc., 2008, 130, 11610-11611) has been investigated using density functional theory calculations. According to our calculations, the reaction of the iridium thiolate complex with H(2) is likely to proceed through the f...

Nickel pyridine 2-thiolate (Ni(PyS)3(-)) has shown good stability and activity as a H2 generation catalyst for use in solar energy storage. The experimentally proposed catalytic pathway is explored using DFT calculations. Free energy changes along the reaction coordinate, spin states, localization of charge and geometry of the intermediates were explored. Calculations were performed using Gauss...

Due to their atomically precise structure, photoluminescent copper nanoclusters (Cu NCs) have emerged as promising materials in both fundamental studies and technological applications, such bio-imaging, cell labeling, phototherapy, photo-activated catalysis. In this work, a facile strategy is reported for the synthesis of novel Cu NCs coprotected by thiolate phosphine ligands, formulated [Cu15(...