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The synthesis and photophysical properties of phenolpyridyl boron complexes are described using quantum-chemical calculations. The analysis indicates that these complexes are potential candidates as green-light-emitting materials in organic light emitting devices (OLEDs).

The synthesis and spectroscopic characterization of a series of luminescent platinum meso-tetrakis{3,5-di[(N-carbazyl)n-alkyloxyphenyl]}porphyrin are described. The results reveal that [[Pt-8C8-TPPH8].sup.8+]/MCM-48 and [[Pt-8C6-TPPH8].sup.8+]/MCM-48 are oxygen sensing materials with a high sensitivity.

The time-density functional theory is used to calculate the absorption and emission spectra of 1,6-bis(2-hydroxyphenol)pyridylboron bis(4-n-butylphenyl)phenyleneamine. The results showed that calculated energies are in agreement with experimental ones providing support for the utility of optimized geometries.

The synthesis of novel four-coordinate boron complexes that contain the mixed phenol-pyridyl functional group is explored. Single-crystal X-ray diffraction demonstrates that the molecular packing is sensitive to the aromatic groups attached to the boron center, although the molecular structures are very similar to each other among compounds.

The charge carrier transporting ability in the polymorphism of tris(8-hydroxyquinolinato)aluminum(III) (Alq3) has been studied using density functional theory (DFT) and Marcus charge transport theory. α- and β-Alq3 composed of mer-Alq3 molecules have stronger electron-transporting property (n-type materials) compared with their hole-transporting ability. In contrast, γ- and δ-Alq3 formed by fac-Alq3 molecules possess stronger hole-transporting character than their electron-transporting ability. The detailed theoretical calculations indicate the reason lies in the differences of HOMO and LUMO distribution states of the two kinds of isomers, and the different molecular packing modes of charge-transporting pathways for different phases. [ABSTRACT FROM AUTHOR]

Upon the treatment of bis(arylcarbonyl)diphenylacetylenes with lithium naphthalenide, the carbonyl reduction dominantly occurs over the acetylene reduction. The produced bis(radical anion) intermediate undergoes a synchronous double-radical 5-endo-digcyclization. This simple reduction procedure produces two intriguing classes of ladder π-conjugated skeletons, i.e., emissive methylene-bridged stilbenes and dibenzo[a,e]pentalenes regarded as a cyclic 1,4-diphenylbutadiene. [ABSTRACT FROM AUTHOR]

Facile photochemical exocyclic [2 + 2 + 2] cycloaddition produced a series of electron-donating 1,1′-bi(isobenzofuran)s having various aryl groups at the 3,3′ positions. The 1,1′-bi(isobenzofuran) skeleton with a highly coplanar structure is a useful building unit to construct the narrow bandgap π-conjugated systems with low oxidation potentials. [ABSTRACT FROM AUTHOR]