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Optical spectra of Cu, Ag, and Au monomers and dimers at regular sites and oxygen vacancies of the MgO(001) surface were studied by time-dependent density functional study. The embedded cluster model was used which provided an accurate description of substrate relaxation and long-range electrostatic interaction.

The characterization of CuO/Al2O3-ZrO2 catalysts by powder X-ray diffraction (XRD), electron spin resonance (ESR), temperature-programmed reduction (TPR), and temperature-programmed desorption (TPD) of CO2 and NH3 is reported. The dispersion of copper supported on Al2O3-ZrO2 is estimated as a function of copper loading and the changes in structure of the copper phase is identified with increased active-phase loading.

The photophysics of a series of bis-metal doubly N-confused hexaphyrins (1.1.1.1.1.1) was investigated using various fluorescent techniques and geometry-optimized ab inito calculations. Bis-Zn(II) and free-base doubly N-confused hexaphyrins show [pi]-[pi*] transitions around a hexaphyrin ring at the B3LYP/6-3IG level and the absorption spectra of bis-Cu(II) and bis-Co(II) doubly N-confused hexaphyrins are relatively broad due to large couplings between the metal d-orbitals and [pi]-electrons of the hexaphyrin rings.

A copper vapor laser tube with a large volume (15.1 L) is developed to study extrapolation in power of the Cu-Ne-HCl-H2 laser medium. The results obtained 312 W on the green and yellow laser lines of copper with the device operated as an oscillator.

The adsorption behavior and crystallographic structure of copper phthalocyanine (CuPc) on highly oriented pyrolytic graphite (HOPG) at high substrate temperatures is described. Vibrational and structural results suggested that CuPc molecules formed a close-packed structure on the substrate with a face-to-face columnar growth that maintained the lying-flat orientation throughout the growth process.

The procedure applied for the L species on Pt/Al2O3 is used to prove that there is a linear relationship between the IR band of the L species absorbed on reduced 4.7%Cu/Al2O3 solid and its amount on the surface. The conclusion confirms that quantitative exploitations of the FTIR spectra recorded after adsorption of CO can be reasonably reformed at least under adsorption equilibrium.

The oxygen plasma generated CuO(sub x) enhanced the hole injection into organic hole-transport layer (HTL). The analysis by X-ray diffraction pattern and Fourier transform infrared spectrum demonstrated that CuO(sub x) was a mixture of copper and copper oxides.

Highly enhanced nonlinear absorption cross section values of [Cu.sub.60](>DPAF-[C.sub.2M]), [C.sub.60](>DPAF-[C.sub.9]) and [C.sub.60](>DPAF-[C.sub.10]) dyads are detected in the 2.0 ps region in toluene. They are correlated to a trend showing higher efficiency in light transmittance attenuation for the dyads.

The complexation of Cu(II) by amyloid-[beta] (A[beta]) is examined through the tandem use of fluorescence and electron paramagnetic resonance (EPR) spectroscopies. With the help of tyrosine fluorescence spectroscopy has provided mechanistic insights into the oxidation state of copper ions bound to A[beta], the binding heterogeneity and the impact of solution conditions on complex formation.

The article studies two domino annulation strategies for construction of benzoxazole ring via domino inter/intramolecular copper-catalyzed cross-coupling using 1,2-dihaloarenes and primary amides and one-pot domino acylation of 2-bromoanilines with acyl chlorides. The one-pot domino acylation was found to be more practical method for synthesis of benzoxazole ring.

The magnetic field effect (MFE) on the photoinduced electron transfer (PET) between the [[Cu[(phen).sub.2]].sup.2+] complex and DNA in a homogeneous buffer medium and reverse micelles is studied. The MFE is found to be less prominent in reverse micelles, as compared to the buffer medium.

High-resolution UV photoemission and near-edge X-ray absorption spectroscopy are used for examining the electronic properties of a single layer (SL) of pentacene molecules by either standing up on an aromatic self-assembled monolayer or planar on a bare Cu(111) substrate. The highest-occupied molecular orbital lineshape in the weakly interacting SL has shown a double structure, which is attributed to two nonequivalent molecules in the ordered configuration.

The linear and nonlinear optical (NLO) properties of a series of [D.sub.3] [F(II), Ru(II), Ni(II), Cu(II), Zn(II)]octupolar metal complexes featuring the 4,4'-bis[(dibutylamino)styryl]-2,2'-bipyridine ligand are described. These compounds have displayed relatively large first hyperpolarizabilities and two-photon absorption (TPA) cross section values.

The ground state electronic structure of oxidized azurin from Pseudomonas aeruginosa and its optical response are investigated. Results reveal that the unpaired electron spin density is mainly localized on the copper ion.

The study results of the nonlinear absorptive property of a novel metal cluster [[W[S.sub.4][Cu.sub.3]I[(4-bpy).sub.3].sub.n] show that the cluster has strong nonlinear absorption under the 8 ns pulse excitation and a relatively weak nonlinear absorptive property under the picosecond pulse excitation.

The optical properties of the phosphorescent trinuclear copper (I) complexes of pyrazolates were investigated theoretically using TD-DFT approaches. The results indicate that the shortest intermolecular Cu...Cu distance plays an important role in the emission spectra of the vertical and tilting movement dimers which may be caused by the variation of the energy gap for the frontier molecular orbitals involved in the main emitting transition.

A study uses density functional theory within the generalized gradient approximation to examine the electronic structure and optical properties of cupric azide, mercuric azide and lead azide, and correlates the impact sensitivity of the three azides with their electronic structure. An analysis of electronic structure, charge transfer, and bond order shows that cupric azide and mercuric azide are covalent-type solids, whereas lead azide is an ionic-type solid with weak covalent character.

A new strategy was developed to synthesize curved ammonium copper molybdate nanoflakes on a copper surface by using a novel solution-phase approach at room temperature. The curved ammonium copper molybdate nanoflakes grow directly on the conducting copper substrate with good electrical contact and in addition using glucose as an additive to control the nucleation and growth process can lead to hierarchical sphere-like architecture.

High-purity chalcopyrite CuInSe2 nanorods (CuInSe2NRS) were synthesized solvothermally. X-ray diffraction and electron microscopic examinations CuInSe2 show a single-crystalline structure for the chalcopyrite crystals and Raman scattering, near-infrared absorption confirm the single crystalline structure and uniform size distribution.

The effect of synchrotron radiation on a series of homogeneous aqueous copper solutions in a microreactor was studied by time-resolved in situ video monitoring and ultraviolet-visible spectroscopy in combination with X-ray absorption near-edge spectroscopy. The results suggest that the hydrated electron was responsible for reduction and the extent of metal ion reduction showed a dependency on the ligand type, the nature of counteranion and the redduction potential.

Electron spin resonance spectroscopy was used to detect and identify radicals formed by UV irradiation of Nafion and Dow perfluorinated membranes partially or fully neutralized by Cu(II), Fe(II), and Fe(III). The major conclusion obtained was that cations were involved in degradation process where the point of attack appears to be at or near the pendant chain of the ionomer.

The structure of copper and zinc-doped V2O5 ARG-like materials is characterized. The use of a synchrotron radiation source has revealed statistically significant X-ray absorption spectroscopy (XAS)spectra at both vanadium and doping metal K edges. Structural information about the local atomic arrangement of the vanadium and doping-metal site are provided.

The desorption dynamics of vibrationally excited CO on Cu(001), induced by femtosecond pulses of visible light are studied. It is observed that desorption yields are more pronounced for initial excited vibrational states.

Nanoparticles of various dimensions of II-VI binary chalcogenides CdSe, PbSe, and Cu(sub 2-x)Se, are prepared by a very simple fast reaction between acetates or sulfates of Cd, Pb and Cu and Na2SeSO3 in the presence of complexating agents, using microwave irradiation. The nanoparticles are analyzed by X-ray diffraction (XRD), electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS).

Pulse radiolysis, laser flash photolysis, and time-resolved resonance Raman spectroscopy are used to study radicals derived by one-electron oxidation of 4-aminoresorcinol as models for the active site free-radical intermediate in the catalytic cycle of copper amine oxidases containing the trihydroxyphenylalanine (TOPA) quinone cofactor.