Surface-enhanced resonance Raman scattering as an analytical tool for single molecule detection

A perylene derivative, n-(n-butyl)-n'-(4-aminobutyl) perylene-3,4,9,10-tetracarboxylic acid diimide (simplified as nBu-PTCD-(CH2)(4)-NH2) has been chosen as the target molecule for studies involving single molecule detection (SMD) using Raman scattering. The enhancement of the Raman signal is the result of the multiplicative effects of two phenomena, resonance Raman scattering (RRS) and surface-enhanced Raman scattering (SERS), which leads to the resulting surface-enhanced resonance Raman scattering (SERRS) process. The SERRS spectra from a single molecule have been collected using both silver and gold colloids. The SMD detection of the fundamental vibrational frequencies characteristic of nBu-PTCD-(CH2)(4)-NH2 is complemented with the detection of some overtones and combinations from ring stretching modes at the single molecule level. The background characterization of the ensemble vibrational spectroscopy of the target perylene and its SERRS is also presented, which includes the UV-vis absorption, experimental and calculated Raman scattering and infrared absorption, and molecular organization using reflection-absorption infrared spectroscopy (RAIRS).

Differential cross sections for target excitation and positronium formation in positron-helium scattering

Positronium formation and target excitation in positron-helium scattering have been investigated using the close-coupling approximation with realistic wave functions for the positronium and helium atoms. The following eight states have been used in the close-coupling scheme: He(1s1s), He(1s2(1)s), He(1s2(1)p), He(1s3(1)s), He(1s3(1)p), Ps(1s), Ps(2s), and Ps(2p), where Ps stands for the positronium atom. Calculations are reported of differential cross sections for elastic scatering,, inelastic target excitation to He(1s2(1)s) and He(1s2(1)p) slates, and rearrangement transition to Ps(1s), Ps(2s), and Ps(2p) states for incident positron energies between 40 and 200 eV. The coincidence parameters for the transition to the He(1s2(1)p) state of helium are also reported and briefly discussed. [S1050-2947(98)05101-4].

Elastic scattering and the proton form factor

We use the QCD pomeron model proposed by Landshoff and Nachtmann to compute the differential and the total cross-sections for pp scattering in order to discuss a QCD-based approach to the proton form factor. This model is quite dependent on the experimental electromagnetic form factor, and it is not totally clear why this form factor gives good results even at moderate transferred momentum. We exchange the electromagnetic form factor by the asymptotic QCD proton form factor determined by Brodsky and Lepage (BL) plus a prescription for its low energy behavior dictated by the existence of a dynamically generated gluon mass. We fit the data with this QCD inspired form factor and a value for the dynamical gluon mass consistent with the ones determined in the literature. Our results also provide a determination of the proton wave function at the origin, which appears in the BL form factor.

THE EFFECT OF POSITRONIUM FORMATION IN E(+)-LI AND E(+)-NA SCATTERING

We studied e+-Li and e+-Na scattering using the close-coupling approximation in the static and coupled static expansion schemes. The effect of the positronium formation on the elastic channel is found to be strong in both cases. In the case of the lithium atom the effect is dramatic; the inclusion of the positronium formation channel transforms the purely repulsive effective e+-Li S wave (static) potential to a predominantly attractive (coupled static) potential. In this case, in the static model delta(0)-delta(infinity) = 0, whereas in the coupled static model delta(0)-delta(infinity)=pi. According to Levinson's theorem this suggests the presence of a S wave bound or continuum bound state in the e+-Li system.

ITERATIVE NUMERICAL-SOLUTION OF SCATTERING PROBLEMS

An iterative Neumann series method, employing a real auxiliary scattering integral equation, is used to calculate scattering lengths and phase shifts for the atomic Yukawa and exponential potentials. For these potentials the original Neumann series diverges. The present iterative method yields results that are far better, in convergence, stability and precision, than other momentum space methods. Accurate result is obtained in both cases with an estimated error of about 1 in 10(10) after some 8-10 iterations.

Small angle X-ray scattering and IR spectroscopy study of metal carbonyl complexes immobilized on a silica gel surface chemically modified with piperazine

The carbonyl complexes [WCl(CO)(3)(bipy) (HgCl)] (1), [Fe(CO)(4)(HgCl)(2)] (2) and W(CO)(6)] (3) were immobilized on a silica gel surface organofunctionalized with piperazine groups. The products obtained were studied by IR spectroscopy and small angle X-ray scattering (SAXS) techniques. The IR data show that the immobilization of heterobimetallic compounds 1 and 2, on the functionalized surface, occurred through the mercury atom, while for 3 the displacement of one CO group by the nitrogen of a piperazine molecule was observed. The data obtained from SAXS indicate that particles have a uniform size and reveal suitable modifications on the functionalized surface after immobilization of metal carbonyl complexes. The average intermolecular distance (l(ij)) for piperazine ligands on support is 8.7 Angstrom, for the metal carbonyl complex 1 it is 18.8 Angstrom, for complex 2 it is 16.2 Angstrom and for complex 3 it is 15.3 Angstrom. Copyright (C) 1996 Elsevier B.V. Ltd

Small-angle X-ray scattering study of the smart thermo-optical behavior of zirconyl aqueous colloids

The smart thermo-optical systems studied here are based on the unusual thermoreversible sol-gel transition of zirconyl chloride aqueous solution modified by sulfuric acid in the molar ratio Zr/SO4:3/1. The transparency to the visible light changes during heating due to light scattering. This feature is related to the aggregates growth that occurs during gelation. These reversible changes can be controlled by the amount of chloride ions in solution. The thermoreversible sol-gel transition temperature increases from 323 to 343 K by decreasing the molar ratio Cl/Zr from 7.0 to 1.3. In this work the effect of the concentration of chloride ions on the structural characteristics of the system has been analyzed by in situ SAXS measurements during the sol-gel transition carried out at 323 and 333 K. The experimental SAXS curves of sols exhibit three regions at small, medium and high scattering vectors characteristics of Guinier, fractal and Porod regimes, respectively. The radius of primary particles, obtained from the crossover between the fractal and Porod regimes, remains almost invariable with the chloride concentration, and the value (4 Angstrom) is consistent with the size of the molecular precursor. During the sol-gel transition the aggregates grow with a fractal structure and the fractal dimensionality decreases from 2.4 to 1.8. This last value is characteristic of a cluster-cluster aggregation controlled by a diffusion process. Furthermore, the time exponent of aggregate growth presents values of 0.33 and 1, typical of diffusional and hydrodynamic motions. A crossover between these two regimes is observed.