Silicon is a promising alternative to current thermoelectric materials (Bi(2)Te(3)). Silicon nanoparticle based materials show especially low thermal conductivities due to their high number of interfaces, which increases the observed phonon scattering. The major obstacle with these materials is maintaining high electrical conductivity. Surface functionalization with phenylacetylene shows an ele...

The nonlinear optical properties of four isomeric dipolar two-photon chromophores are compared. The chromophores consist of a carbazole electron donor coupled to a naphthalimide electron acceptor by a phenylacetylene bridge. By variation of the connectivity of the bridge at the phenyl groups, four compounds with 0, 1, and 2 meta linkages are synthesized. The linear and nonlinear optical propert...

The exciton scattering (ES) approach attributes excited electronic states in quasi-1D branched polymer molecules to standing waves of quantum quasiparticles (excitons) scattered at the molecular vertices. We extract their dispersion and frequency-dependent scattering matrices at termini, ortho, and meta joints for pi-conjugated phenylacetylene-based molecules from atomistic time-dependent densi...

A copper-based NbO-type metal-organic framework constructed from a tetracarboxylate incorporating phenylethyne as a spacer exhibited an exceptionally high methane working capacity of 184 cm(3) (STP) cm(-3) for methane storage. The value is among the highest reported for MOF materials.

Rhodium complexes with functionalized NHC ligands catalyze the polymerization of phenylacetylene to give very high molar mass stereoregular polymers. Surprisingly, some chloro-complexes are much more active than related cationic precursors also.

Several strategies for using enzymes to catalyze reactions leading to the synthesis of relatively simple substituted picolinic acids have been described. The goal of the work described here was to synthesize a more complex molecule, 6-phenylacetylene picolinic acid [6-(2-phenylethynyl)pyridine-2-carboxylic acid], for use as a potential endcapping agent for aerospace polymers. We screened 139 to...