Crystal binding energy of a core electron at the 3d5/2 level of a Pd atom has been estimated to be −4.0 ± 0.02 eV by decoding the X-ray photoelectron spectra obtained from both the Pd surfaces and the Pd nanoparticles. Findings indicate that the increase in the binding energy originates from the effect of coordination number (CN) imperfection of atoms at a flat surface or at the curved surface ...

According to advanced 13C MAS NMR experiments and DFT investigations of multi-step pathways as well DFT-based assignment experimental spectra, it is shown that carbide formation can occur on ruthenium NPs during CO bond cleavage.

Chemical bond cleavage and reconstruction are common processes in traditional rearrangement reactions. In contrast, the process that involves bond cleavage, fragment modification and then reconstruction of the modified fragment provides an efficient way to build structurally diversified molecules. Here, we report a palladium(II)/chiral phosphoric acid catalysed three-component reaction of aryld...

This paper summarizes a series of studies on the interface of fiber reinforced polymer laminates externally bonded to concrete substrates, carried out in the Laboratory of Engineering for Maintenance Systems, Hokkaido University. Appropriate test methods and bond models for shear bond, tensile bond and cleavage bond (bond under dowel force) are shown. Finally, experimental results on shear bond...

We used dispersion-corrected density functional theory (DFT-D3) calculations to investigate the initial C-H bond cleavage of propane σ-complexes adsorbed on the PdO(101) surface. The calculations predict that propane molecules adsorbed in η(1) configurations can undergo facile C-H bond cleavage on PdO(101), where the energy barrier for C-H bond activation is lower than that for desorption for e...

This tutorial review deals with recent developments in the activation of C-C bonds in organic molecules that have been catalyzed by transition metal complexes. Many chemists have devised a variety of strategies for C-C bond activation and significant progress has been made in this field over the past few decades. However, there remain only a few examples of the catalytic activation of C-C bonds...

Speciation of copper in the electrokinetic treatments of an industrial sludge was studied by in situ extended X-ray absorption fine structural (EXAFS) and X-ray absorption near-edge structural (XANES) spectroscopies in the present work. The least-square fits (LSF) of the XANES spectra indicated that the main copper species in the sludge were Cu(NO)(3) (82%) and adsorbed copper (Cu/SiO(2)) (17%)...

In the crystal of the title substituted hemibi-quinone derivative, C16H11BrN2O4 or [BrHBQH2(CN)2], the substituted benzene rings are rotated about the central C-C bond, forming a dihedral angle of 53.59 (7)°. The ring systems inter-act through an intra-molecular O-H⋯Ometh-oxy hydrogen bond, which induces a geometry quite different from those in previously reported hemibi-quinone structures. In ...

Two polymorphic cyano-bridged Au(I)-Ni(II) bimetallic complexes of formulas [Ni(en)2Au(CN)2][Au(CN)2] (1) and [Ni(en)2[Au(CN)2]2] (2) have been prepared from the 1:2 reaction between [Au(CN)2]- and either [Ni(en)2Cl2]Cl or [Ni(en)3]Cl2.2H2O, respectively. The structure of 1 consists of polymeric cationic chains of alternating [Au(CN)2]- and [Ni(en)2]2+ units running along the a axis and [Au(CN)...