New Microporous and Mesoporous Materials: Elucidation of Their Structures by Electron Microscopy

We have recently published three papers (P. Wagner et al., Phys. Chem. 103 (1999) 8245; S. Inagaki et al., J. Am. Chem. Soc. 121 (1999) 9611; A. Carlsson et al., J. Electron Microscopy 48 (1999) 795) that herald a new approach to structural solutions in micro- and mesoporous solid state materials. Among these materials are the first hybrid inorganic–organic mesoporous materials, synthesized using the organosilane compound 1,2-bis(trimethoxysilyl) ethane (BTME). Both organic and inorganic fragments are distributed completely uniformly at the molecular scale in the mesoporous walls. Two distinct phases with two- and three-dimensional (2d- and 3d-) hexagonal periodic pore-arrangements have been detected. We have also recently reported another new cubic hybrid phase with a decaoctahedral crystal morphology. Two new approaches for solving the structures of porous materials from either electron diffraction (ED) or high-resolution electron microscope (HREM) observations have also been developed. The former was successfully applied by combining direct methods for structural analysis of the new microporous crystal SSZ-48, which crystallizes only in very small crystals. The latter technique was applied to 3d-structural analysis of the mesoporous material MCM-48. The structure solutions, in the latter case, are obtained uniquely without preassumed models or parameterization, unlike previous reports.     

Rules on pair electron correlation in MOH (M=H,Li, Na)

In this article, the transferable property of pair correlation energies of OH components is discussed for a series of OH containing compounds MOH (M=H, Li, Na). In this series of compounds, from OH free radicals through HOH, LiOH, NaOH to OH^?, both the intra‐ and interpair correlation energies and intra‐ and intershell correlation energies of the inner orbital electrons change little. The 1s$_{\mathrm{O}}^{2}$ is very much alike in all the above OH containing systems and such a pair correlation is transferable. But the interpair correlation and intrashell correlation energies of the valence electrons are large and change a lot in all systems. In MOH molecules, the OH correlation energy contribution increases with the increase of the ionic bond strength of the compound and this contribution is always between the correlation energy values of OH free radicals and OH^? atomic groups. For strong ionic compounds, we present a very simple method to estimate the correlation energy by adding the correlation energies of its component ions within the chemical accuracy (2 kcal/mol). © 2001 John Wiley & Sons, Inc. Int J Quant Chem 83: 311–317, 2001     

Single-particle quadrupole electromagnetic transitions in p-shell and sd-shell nuclei

Electron scattering Coulomb form factors for the single-particle quadrupole transitions in p-shell and sd-shell nuclei have been studied. Core polarization effects are included through a microscopic theory that includes excitations from the core orbits up to higher orbits with 2ω excitations. The modified surface delta interaction is adopted as a residual interaction. The results are discussed for the ( 1p _1/2 ^-1↦1p _3/2 ^-1) proton transition in ¹⁵N, ( 1d _5/2↦2s _1/2) neutron transition in ¹⁷O and ( 1d _3/2 ^-1↦2s _1/2 ^-1) proton transition in ³⁹K. The inclusion of core polarization effects modifies the form factors markedly and describes the experimental data very well in both the absolute strength and the momentum transfer dependence. Received: 18 April 2002 / Accepted: 1 July 2002 / Published online: 6 March 2003 RID="a" ID="a"e-mail: baguniv@uruklink.net Communicated by A. Molinari     

Phase diagram of the spin extended model

The quantum phase transition in the ground state of the extended spin S = 1/2 XY model has been studied in detail. Using the exact solution of the model the low temperature thermodynamics, as well as the ground state phase diagram of the model in the presence of applied uniform and/or staggered magnetic field are discussed. Received 29 November 2002 / Received in final form 24 February 2003 Published online 11 April 2003 RID="a" ID="a"e-mail: japa@iph.hepi.edu.ge     

Nature of the Peierls- to Mott-insulator transition in 1D

In order to clarify the physics of the crossover from a Peierls band insulator to a correlated Mott-Hubbard insulator, we analyze ground-state and spectral properties of the one-dimensional half-filled Holstein-Hubbard model using quasi-exact numerical techniques. In the adiabatic limit the transition is connected to the band to Mott insulator transition of the ionic Hubbard model. Depending on the strengths of the electron-phonon coupling and the Hubbard interaction the transition is either first order or evolves continuously across a narrow intermediate phase with finite spin, charge, and optical excitation gaps. Received 7 July 2002 / Received in final form 21 October 2002 Published online 27 January 2003 RID="a" ID="a"e-mail: holger.fehske@physik.uni-greifswald.de     

A novel electron scattering apparatus combining a laser photoelectron source and a triply differentially pumped supersonic beam target: characterization and results for the resonance

A novel electron scattering apparatus for high resolution studies of angle-differential elastic and inelastic electron scattering from atoms and molecules in the gas phase is described and its performance characterized. It combines a laser photoelectron source, a triply differentially pumped collimated supersonic beam target (half angle 0.015 rad, background to beam density ratio < 0.01), and several electron multipliers for simultaneous detection of elastically scattered electrons and metastable atoms (or molecules) due to inelastic scattering. In detailed test measurements of the yield for the production of metastable He^*(2³S₁) atoms around its threshold, the dependence of the overall energy width on various experimental parameters has been investigated. So far a resolution down to 7 meV (FWHM) has been obtained. Under such conditions we have investigated the profile of the He^- (1 s 2 s ^{2 2} S _1/2 ) resonance at the scattering angles 22 ^° , 45 ^° , and 90 ^° . From a consistent fit of the measured profiles by resonant scattering theory we determine a new value for the resonance energy ( E _r = 19.365(1) eV) and an accurate resonance width ( Γ = 11.2(5) meV). These results are consistent with the previously recommended values. Received 23 July 2002 Published online 29 October 2002 RID="a" ID="a"e-mail: hotop@physik.uni-kl.de RID="b" ID="b"Permanent address: Department of Physics and Astronomy, Drake University, Des Moines, IA 50311, USA.     

Theoretical total ionization cross-sections of CH x,CF x,SiH x,SiF x ( ) and CCl 4 targets by electron impact

Total ionization cross-sections of electron impact are calculated for the molecular targets CH_x, CF_x, SiH_x, SiF_x (x = 1-4) and CCl₄ at incident energies 20-3 000 eV. The calculation is based on Complex Scattering Potential approach, as developed by us recently. This leads to total inelastic cross-sections, from which the total ionization cross-sections are extracted by reasonable physical arguments. Extensive comparisons are made here with the previous theoretical and experimental data. The present results are satisfactory except for the CF_x and SiF_x (x = 1-3) radicals, for which the experimental data are lower than most of the theories by more than 50%. Received 23 May 2002 / Received in final form 24 October 2002 Published online 21 January 2003 RID="a" ID="a"e-mail: knjoshipura@yahoo.com     

Transfer ionization cross-sections measured in collisions of highly charged argon ions with neon target

: Multiple electron transfer processes are studied for Arq+n- Ne (q= 8, 9, 11, 12) collisions by using multi-parameter coincidence techniques. Various electron transfer processes are identified experimentally and the related cross-sections are measured. The dependence of transfer ionization cross-sections on the recoil charge states is compared with the results from the modified molecular classical overbarrier model. It is found that the modified model described the experimental results reasonably.     

New amicable pairs of type

A UBASIC computer program was developed to implement a method of te Riele for finding amicable pairs of type . Hundreds of new pairs were found, including a new largest pair and several ``daughter', ``granddaughter', and ``great granddaughter' pairs.

     

Phonon Band Filling and Photon Emission by Phonons

Phonon generation by electrons is supplied in n-type Si crystals in electric fields E100 kV/cm at the lattice temperature of 80 K employing the ensemble Monte Carlo technique. Electron transfer between equivalent energy valleys is accounted for the g-type- and f-type phonon absorption and emission. Acoustic phonons are accounted for the quasi-elastic scattering of electrons within the energy valleys. Excess phonon number is determined using numerical data on phonon generation rate and experimental values of phonon lifetimes. The feasibility of stimulated emission of infrared-range photons due to direct optical transitions between the phonon bands is discussed.