Collisional quantum interference effect on rotational energy transfer in an atom-diatom system

The theoretical model of collisional quantum interference (CQI) in intramolecular rotational energy transfer is described in an atom-diatom system, based on the first Born approximation of time-dependent perturbation theory and considering a long-range interaction potential. The relation between differential and integral interference angles is obtained. For the CO A(1)Pi (v = 0)/e(3)Sigma (-)(v = 1)-He collision system, the calculated integral interference angles are consistent with the experimental values. The physical significance of interference angle and the essential factors it depends on as well as the influence of the short-range interaction on CQI are discussed. (C) 2001 Elsevier Science B.V. All rights reserved.

Multipolar model for collisional quantum interference on rotational energy transfer

A theoretical model of collisional quantum interference (CQI) is developed in a diatom-diatom system based on the first-order Born approximation of time-dependent perturbation theory and the multipolar interaction potential. The transition cross section is obtained. The relations between the differential and integral interference angles are discussed. The key factors on the determination of the differential and integral interference angles are obtained. The changing tendency of the interference angles with the experimental temperatures is obtained.

Proton transfer reactions within the pyridazine-methanol cluster ion

The multiphoton ionization of the hydrogen-bonding cluster pyridazine-methanol (C4H4N2-CH3OH) was studied using a time-of-flight mass spectrometer at the wavelengths of 355 and 532 nm. At both wavelengths, a series of protonated C4H4N2-(CH3OH)(n)-H+ cluster ions were obtained. Relevant ab initio calculations were performed with HF and B3LYP methods. Equilibrium geometries of both neutral and ionic C4H4N2-CH3OH clusters, and dissociation channels and dissociation energies of ionic clusters, are presented. The results show that when C4H4N2-CH3OH is vertically ionized, C4H4N2H+ and CH3O are the dominant products via proton transfer reaction. A high energy barrier makes another channel corresponding to the production of C4H4N2H+ and CH2OH disfavored. (C) 2002 Elsevier Science B.V. All rights reserved.

Mass transfer resistance in the production of high impact polypropylene

Mass transfer resistance in the production of high impact polypropylene (hiPP) produced by a two-stage slurry/gas polymerization was investigated by field-emission scanning electron microscopy (SEM) and transmission electron microscopy (TEM) techniques. It is found that the formation of ethylene-propylene copolymer (EPR) phases in polypropylene (iPP) particle produced in the first stage slurry polymerization exhibits a developing process from exterior to interior

A strategy for synthesis of ion-bonded supramolecular star polymers by reversible addition-fragmentation chain transfer (RAFT) polymerization

We have developed a novel strategy for the preparation of ion-bonded supramolecular star polymers by RAFT polymerization. An ion-bonded star supramolecule with six functional groups was prepared from a triphenylene derivative containing tertiary amino groups and trithiocarbonate carboxylic acid, and used as the RAFT agent in polymerizations of tert-butyl acrylate (tBA) and styrene (St). Molecular weights and structures of the polymers were characterized by H-1 NMR and GPC. The results show that the polymerization possesses the character of living free-radical polymerization and the ion-bonded supramolecular star polymers PSt, PtBA, and PSt-b-PtBA, with six well-defined arms, were successfully synthesized.

Enhancements of the simulation method on the edge effect in resin transfer molding processes

In resin transfer molding processes, small clearances exist between the fiber preform and the mold edges, which result in a preferential resin flow in the edge channel and then disrupt the flow patterns during the mold filling stage. A mathematical model including the effect of cavity thickness on resin flow was developed for flow behavior involving the interface between an edge channel and a porous medium. According to the mathematical analysis of momentum equations in a fully developed rectangular duct and formulations of the equivalent edge permeability, comparing with three-dimensional Navier-Stokes equations, the governing equations were modified in the edge channel. The volume of fluid (VOF) method was applied to track the flow front. A simple case is numerically simulated using the modified governing equations. The effects of edge channel width and cavity thickness on flow front and inlet pressure are analyzed, and the evolution characteristics of simulated results are in agreement with the experimental results. (c) 2007 Elsevier B.V. All rights reserved

Manipulating charge-transfer character with electron-withdrawing main-group moieties for the color tuning of iridium electrophosphors

A new and synthetically versatile strategy has been developed for the phosphorescence color tuning of cyclometalated iridium phosphors by simple tailoring of the phenyl ring of ppy (Hppy=2-phenylpyridine) with various main-group moieties in [Ir(ppy-X)(2)(acac)] (X=B(Mes)(2), SiPh3, GePh3, NPh2, POPh2, OPh, SPh, SO2Ph). This can be achieved by shifting the charge-transfer character from the pyridyl groups in some traditional iridium ppy-type complexes to the electron-withdrawing main-group moieties and these assignments were supported by theoretical calculations.

One-pot synthesis of silver nanoplates and charge-transfer complex nanofibers

We describe a facile one-pot process to synthesize Ag nanoplates by reducing silver nitrate with 3,3',5,5'-tetramethylbenzidine (TMB) at room temperature. The silver nanoplates were highly oriented single crystals with (111) planes as the basal planes. TMB can be readily oxidized to charge-transfer (CT) complex between TMB, as a donor, and (TMB)(2+), as an acceptor. The pi-pi interaction of the neutral amine (TMB) and diiminium structure (dication, TMB2+) result in the formation of one-dimensional CT complex nanofiber.

Crystal structure and charge transfer energy of the vaterite-type orthoborate YBO3:Eu

Ligand-to-metal charge transfer energies of YBO3:Eu have been investigated from the chemical bond viewpoint. The chemical bond parameters, such as the covalency, the polarizability of the chemical bond volume, and the presented charge of the ligands in the chemical bond have been quantitatively determined based on the dielectric theory of complex crystal. We calculated the environmental factor (h(e)), which is the major factor influencing the charge transfer energy in the compounds. The calculated results show that the suitable group space of YBO3 is C2/c. The method provides us with a supplementary tool to judge the proper structure when the structure of the crystal has many uncertain space groups.