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To eliminate the chemical instability caused by the electron-deficiency of boron, two types of usual dative π bonds are recommended for compensating boron atoms in the computational design of boron-based clusters having hypercoordinate centres, which can lead to unusually stable targets for synthesis in the condensed phase. [ABSTRACT FROM AUTHOR]

A simple but efficient method for highly sensitive Raman detection, covering a thin polydimethylsiloxane elastomer, pre-coated with a layer of Au or Ag nanoparticles, onto the detected substrate, is proposed. Moreover, this nanoparticle-coated PDMS elastomer can be used for chemical imaging with high sensitivity. [ABSTRACT FROM AUTHOR]

We report a simple method to control the end shape of silver nanowires by adding pure water in the conventional polyol synthesis. The use of 0.2–0.4% (v/v) water in ethylene glycol as a solvent provides pencil-like silver nanowires with sharp ends in a high yield. We have demonstrated remote excitation of SHG on the sharp nanowires, promising a point light source for super resolution microscopy. [ABSTRACT FROM AUTHOR]

The origins of regioselectivity in Ni-catalyzed alkene hydrofunctionalizations were computationally investigated by using energy decomposition analysis. The results indicate the Markovnikov selectivity with aryl-substituted alkenes is favored due to the stabilizing charge transfer effect, and the anti-Markovnikov selectivity with alkyl-substituted alkenes is favored because of the destabilizing Pauli repulsion effect. [ABSTRACT FROM AUTHOR]

The origins of the reactivity of strain-increase allylborations were computationally investigated. The low reactivity of vinylcyclopropyl boronates is due to weak electronic interactions between benzaldehyde and allylboronates. By increasing the acidity of the boron center, the reactivity is significantly improved because the stronger stabilizing O→B interaction effectively compensates for destabilizing steric effects. [ABSTRACT FROM AUTHOR]

A novel activity-based Cu2+ fluorescent probe featuring multidentate binding sites was synthesized. It functions through chelation with Cu2+, which in turn specifically triggers hydrolysis of the probe to release a near-infrared emission with AIE + ESIPT properties. The probe was found to be capable of ratiometric imaging of Cu2+ in living HeLa cells. [ABSTRACT FROM AUTHOR]

The mechanism and origin of stereoselectivity of silver-catalyzed hydroalkylation of alkynes were computationally investigated at the B3LYP-D3BJ/6-311+G(d,p)-SDD//B3LYP/6-31G(d)-LANL2DZ level. The complex of alkynyl trialkylboronate with cationic silver is a key intermediate, which triggers the rate- and stereoselectivity-determining 1,2-migration step. Energy decomposition analysis indicates that the difference of Pauli repulsion dominates the stereoselectivity. [ABSTRACT FROM AUTHOR]

We predicted the stable alkaline earth complexes M(Cp)3− (M = Ca, Sr, Ba; Cp = cyclopentadienyl), where the M centers were in their stable +2 oxidation state and mimicked the bonding behaviour of transition metals by participating in bonding with the π orbitals of Cp ligands using their d orbitals. [ABSTRACT FROM AUTHOR]

Manipulating the degrees of concavity or Miller indices of high-index facets is significant for metal nanocrystals to further tailor their properties; however, generating a concave surface with negative curvature is still in the early development stage and tuning the degree of concavity remains a challenge. Herein, we have developed a simple and effective site-selective etching strategy to manipulate the concavity of rhodium (Rh) nanocrystals with high-index facets. [ABSTRACT FROM AUTHOR]

Graphene oxide (GO) sheet is used as a novel substrate for dip-pen nanolithography (DPN). After GO is transferred onto SiO2using the Langmuir–Blodgett technique, CoCl2is patterned on both GO and exposed SiO2substrates simultaneously by DPN, which is used for growth of different structured carbon nanotubes. [ABSTRACT FROM AUTHOR]