From a series of gold complexes of the type [t-BuXPhosAu(MeCN)]X (X=anion), the best results in intermolecular gold(I)-catalyzed reactions are obtained with the complex with the bulky and soft anion BAr4F- [BAr4F-=3,5-bis(trifluoromethyl)phenylborate] improving the original protocols by 10-30% yield. A kinetic study on the [2+2] cycloaddition reaction of alkynes with alkenes is consistent with ...

Although acetylene loss is well known to constitute the main breakdown pathway of polycyclic aromatic hydrocarbon (PAH) species, the molecular structure of the dissociation products remains only poorly characterized. For instance, the structure of the C8H6 product ion formed upon acetylene loss from the smallest PAH naphthalene (C10H8) has not been experimentally established. Several C8H6(+) is...

Noble metal nanoparticles of different sizes and shapes combined with conjugated functional polymers give rise to advanced core shell hybrids with interesting physical characteristics and potential applications in sensors or cancer therapy. In this paper, a versatile and facile synthesis of core shell systems based on noble metal nanoparticles (AuNPs, AgNPs, PtNPs), coated by copolymers belongi...

In view of the potent oxidizing strength of cytochrome P450 intermediates, it is not surprising that certain substrates can give rise to reactive species capable of attacking the heme or critical distal-pocket protein residues to irreversibly modify the enzyme in a process known as mechanism-based (MB) inactivation, a result that can have serious physiological consequences leading to adverse dr...

We demonstrate a controllable surface-coordinated linear polymerization of long-chain poly(phenylacetylenyl)s that are self-organized into a "circuit-board" pattern on a Cu(100) surface. Scanning tunneling microscopy/spectroscopy (STM/S) corroborated by ab initio calculations, reveals the atomistic details of the molecular structure, and provides a clear signature of electronic and vibrational ...

Carbon nanotube-containing poly(phenylacetylenes) (NT/PPAs) are prepared by in situ polymerizations of phenylacetylene catalyzed by WCl6-Ph4Sn and [Rh(nbd)Cl]2 (nbd ) 2,5-norbornadiene) in the presence of the nanotubes. The NT/PPAs are characterized by GPC, NMR, UV, FL, TGA, SEM, TEM, and XRD, and it is found that the nanotubes in the NT/PPAs are helically wrapped by the PPA chains. The short n...

Several novel palladium triphosphine complexes have been synthesized and tested as recyclable catalysts for the methoxylation of alkynes into acetals in ionic liquids. A complete conversion of phenylacetylene was achieved with only 0.2% of [Pd(Triphos)NCMe][(PF6)2] in a methanol/[BMIM][BF4] mixture. We discovered that the addition of an ionic liquid to methanol allowed not only to increase the ...

The capability of the exciton scattering approach, an efficient methodology for excited states in branched conjugated molecules, is extended to include symmetric triple and quadruple joints that connect linear segments on the basis of the phenylacetylene backbone. The obtained scattering matrices that characterize these vertices are used in application of our approach to several test structures...

Tetracyanobutadiene (TCBD) derivatives of ferrocenyl BODIPYs 2a-2c were designed and synthesized by [2 + 2] cycloaddition-retroelectrocyclization reaction of tetracyanoethylene (TCNE) with meso alkynylated ferrocenyl BODIPYs. The TCBD substituted ferrocenyl BODIPYs were designed in such a way that the distance between the ferrocenyl unit and the TCBD remains constant, whereas the distance betwe...