Topological studies on heteroconjugated molecules

A graph-theoretical analysis of certain -electron properties of alternant molecules with one heteroatom is given. Topological formulas for total -electron energy, -electron charge density, bond order and various polarizabilities are derived. The main results of the paper are summarized in Rules 1-7.     

On the transition moment of the CO2 40°1II-00°0 band near 7740 cm-1

Using intensity measurements on the CO₂ 40°1_II-00°0 band obtained by Valero and Boese, we have expanded the F(m)-factor for the parallel band by using the Herman-Wallis formula. We have calculated the transition moment and determined the coefficients in the expansion of F(m).     

Effects of Refractive Index and Viscosity on Fluorescence and Anisotropy Decays of Enhanced Cyan and Yellow Fluorescent Proteins

The fluorescence lifetime strongly depends on the immediate environment of the fluorophore. Time-resolved fluorescence measurements of the enhanced forms of ECFP and EYFP in water–glycerol mixtures were performed to quantify the effects of the refractive index and viscosity on the fluorescence lifetimes of these proteins. The experimental data show for ECFP and EYFP two fluorescence lifetime components: one short lifetime of about 1 ns and a longer lifetime of about 3.7 ns of ECFP and for EYFP 3.4. The fluorescence of ECFP is very heterogeneous, which can be explained by the presence of two populations: a conformation (67% present) where the fluorophore is less quenched than in the other conformation (33% present). The fluorescence decay of EYFP is much more homogeneous and the amplitude of the short fluorescence lifetime is about 5%. The fluorescence anisotropy decays show that the rotational correlation time of both proteins scales with increasing viscosity of the solvent similarly as shown earlier for GFP. The rotational correlation times are identical for ECFP and EYFP, which can be expected since both proteins have the same shape and size. The only difference observed is the slightly lower initial anisotropy for ECFP as compared to the one of EYFP.     

Molecular adjustment of the electronic properties of nanoporous electrodes in dye-sensitized solar cells

Molecular modification of dye-sensitized, mesoporous TiO2 electrodes changes their electronic properties. We show that the open-circuit voltage (V(oc)) of dye-sensitized solar cells varies linearly with the dipole moment of coadsorbed phosphonic, benzoic, and dicarboxylic acid derivatives. A similar dependence is observed for the short-circuit current density (I(sc)). Photovoltage spectroscopy measurements show a shift of the signal onset as a function of dipole moment. We explain the dipole dependence of the V(oc) in terms of a TiO2 conduction band shift with respect to the redox potential of the electrolyte, which is partially followed by the energy level of the dye. The I(sc) shift is explained by a dipole-dependent driving force for the electron current and a dipole-dependent recombination current.     

Polarization-mixing optical parametric oscillator

We report the experimental realization of a new type of optical parametric oscillator in which oscillation is achieved by polarization rotation in a linear retarder, followed by nonlinear polarization mixing. The mixing is performed by a type II degenerate parametric downconversion in a periodically poled KTP crystal pumped by a 1064 nm pulsed Nd:YAG pump. A single, linearly polarized beam, precisely at the degenerate wavelength is generated. The output spectrum has a narrow linewidth (below the instrumentation bandwidth of 1 nm) and is highly stable with respect to variations in the crystal temperature.     

Dependence of Total p-Electron Energy on the Number of Non-Bonding Molecular Orbitals

In recent work [Gutman et al. (2004) Chem Phys Lett 383: 171] a method was developed by means of which the influence of non-bonding molecular orbitals (NBMOs) on the value of total -electron energy (E) can be separated from the multitude of other molecular-structure-dependent effects. We now extend this method and establish the relation between E and the number n ₀ of NBMOs. It is shown that E (when computed within the HMO approximation, and expressed in the units of the HMO resonance integral ) is a decreasing function of n ₀, and that the dependence of E on n ₀ is almost perfectly linear.     

Control of multiple filamentation in air

In this Letter we provide what is believed to be the first experimental evidence of suppression of the number of filaments for high-intensity laser pulses propagating in air by beam astigmatism. We also show that the number, pattern, and spatial stability of the filaments can be controlled by varying the angle that a focusing lens makes with the axial direction of propagation. This new methodology can be useful for applications involving atmospheric propagation, such as remote sensing.     

Frequency stabilization of a frequency-doubled 1556-nm source to the 5S(1/2) ? 5D (5/2) two-photon transitions of rubidium

Improvements in the power level of sources near 1550 nm and in the efficiency of waveguide frequency doublers enabled us to lock a frequency-doubled source directly to the 5S(1/2) ? 5D(5/2) two-photon transitions near 778 nm. We obtained a sufficiently powerful second-harmonic signal, exceeding 2 mW, by doubling an external-cavity diode laser that was amplified by an erbium-doped fiber amplifier in a periodically poled LiNbO(3) channel waveguide. Our experimental scheme can be used for realizing compact, high-performance frequency standards near 1550 nm for fiber-optic communication and sensing applications.     

Microstrain in hydroxyapatite carbon nanotube composites

Synchrotron radiation diffraction data were collected from hydroxyapatite–carbon nanotube bioceramic composites to determine the crystallite size and to measure changes in non‐uniform strain. Estimates of crystallite size and strain were determined by line‐profile fitting of discrete peaks and these were compared with a Rietveld whole‐pattern analysis. Overall the two analysis methods produced very similar numbers. In the commercial hydroxyapatite material, one reflection in particular, (0 2 3), has higher crystallite size and lower strain values in comparison with laboratory‐synthesized material. This could indicate preferential crystal growth in the [0 2 3] direction in the commercial material. From the measured strains in the pure material and the composite, there was a degree of bonding between the matrix and strengthening fibres. However, increasing the amount of carbon nanotubes in the composite has increased the strain in the material, which is undesirable for biomedical implant applications.