Thermal activation of complexation reaction on aerosil surface

The influence of temperature in the 20–100°C range on processes of bimolecular interaction in the aerosil-phenanthrene-trinitrobenzene system has been studied. Temperature-stimulated CTC accumulation on the surface is found. Activation energies of complex formation are estimated. Quenching of phenanthrene fluorescence by acceptor has a mixed static and dynamic character.     

Direct SCF structure optimization of large molecules on networks of workstations

A program to optimize the structure of large molecules at the Hartree–Fock level of theory running concurrently on a network of workstations is presented. Problems encountered in obtaining nearly optimal speedup and their solutions are discussed. A simple scheduling algorithm is presented that enables up to 99.5% of the code to run in parallel. © 1993 John Wiley & Sons, Inc.     

线状锗等离子体X射线线谱的时间分辨测量

用自行研制的X射线条纹晶体谱仪首次测量了线状锗等离子体的X射线时间分辨谱。给出了类Ne-锗L线共振线的时间演化过程,并用类Ne-锗L线共振线与其双电子俘获伴线的相对强度比粗估了锗等离子体的电子温度及其随时间的变化,实验给出了X光激光增益区介质的电子温度为400～760eV,同时给出了电子温度保持相对恒定的时间不小于90ps(电子温度变化小于2％)。     

Small angle neutron scattering from oxygen precipitates in silicon

The formation of silicon oxide precipitates from Czochralski grown silicon depends on the time and temperature of the heat treatment as well as on the initial content of interstitially dissolved oxygen. Samples containing between 5×10¹⁷ O_i/cm³ and 13×10¹⁷ O_i/cm³ have been heated at 750° C for 96 h. SiO₂ precipitates of various shape and size have been obtained and investigated by means of small angle neutron scattering (SANS) in the Q-range 0.05 Å^–1<Q<0.2 Å^–1. The obtained SANS patterns reveal a typical anisotropy of their intensity distribution, which splits into a central peak at Q<0.1 Å^–1 due to the shape of the individual particles and a number of weak intensities for large Q-values, originating from a correlation between defects, possibly between the precipitates. While these correlation peaks in the SANS patterns are seen best for rather low values of about (5–7)×10¹⁷ O_i/cm³ oxygen content, the central peak anisotropy is most pronounced for higher values of ca 10×10¹⁷ O_i/cm³. The integrated intensity of the central peak increases with increasing initial oxygen content. For comparison, untreated samples of the same initial oxygen content do not reveal any anisotropic SAN scattering or a broadened central peak beam.     

Spin-trapped hydroxyl free radicals studied at low field by Field-Cycled Dynamic Nuclear Polarization

The technique of Field-Cycled Dynamic Nuclear Polarization (FC-DNP) involves the EPR irradiation of a free radical solution and the subsequent observation of the NMR signal, the experiment being carried out at a range of magnetic field strengths in order to measure the free radical’s EPR spectrum. In this work FC-DNP has been used to study the EPR spectrum of DMPO spin-trapped hydroxyl free radicals at magnetic field strengths between 0.5 mT and 13.0 mT (5–130 Gauss). The low-field EPR spectrum contains six separate EPR lines, in contrast to the well-known X-band spectrum where only four are seen. Knowledge of the spin-adduct’s EPR spectrum will be of use to workers involved in low-field EPR, especially those conducting biological or in-vivo spin-trapping experiments.     

Experimental modelling of high frequency circuits at low audio frequencies part I

At microwave frequencies, frequent use is made in circuit design of the electrical properties of short lengths of resistively terminated transmission line. It will be shown in the following contribution that circuits based on high frequency distributed lines can usefully be modelled at low audio frequencies using lumped element lines.     

Selective saturation and inversion of multiple resonances in high-resolution solid-state 13C experiments using slow spinning CP/MAS and tailored DANTE pulse sequences.

Taking advantage of the long 13C T1 values generally encountered in solids, selective saturation and inversion of more than one resonance in 13C CP/MAS experiments can be achieved by sequentially applying several DANTE pulse sequences centered at different transmitter frequency offsets. A new selective saturation pulse sequence is introduced composed of a series of 90 degrees DANTE sequences separated by interrupted decoupling periods during which the selected resonance is destroyed. Applications of this method, including the simplification of the measurement of the principal values of the 13C chemical shift tensor under slow MAS conditions, are described. The determination of the aromaticity of coal using a relatively slow MAS rate is also described.     

Sputtering yield of chromium by argon and xenon ions with energies from 50 to 500 eV

A radioactive tracer technique is described for the quantitative measurement of the sputtering yield of a target material electroplated on a copper substrate. Sputtering yields of chromium by argon and xenon ions with energies from 50 to 500 eV are reported. The ion beams, having a current density ranging from 0.01 to 0.1 mA/cm² at an operating pressure of 2×10^–5 Torr, were produced by a low-energy ion gun. The sputtered atoms were collected on an aluminum foil surrounding the target. ⁵¹Cr was used as the tracer isotope. The results indicate that the radioactive tracer technique is sensitive enough in measuring the extremely small amount of sputtered material at low ion currents and low ion energies.