Transient resonance Raman and density functional theory investigation of the chlorine atom/carbon disulfide molecular complex involved in selective alkane photochlorination reactions

The structure and bonding of the chlorine atom/carbon disulfide (CS(2)/Cl) complex involved in selective photochlorination reactions with alkanes was directly probed using transient resonance Raman spectroscopy. The experimental Raman vibrational frequencies were compared to those computed from density functional theory calculations for probable structures of the CS(2)/Cl complex. Our results indicate that the S [double bond] C [double bond] S...Cl complex species is responsible for the approximately 370 nm transient absorption band observed after ultraviolet photolysis of CCl(4) in the presence of CS(2). We discuss the structure and properties of the S [double bond] C [double bond] S...Cl complex and compare them with those for the related benzene/Cl and pyridine/Cl complexes.     

TS-1 zeolite microengineered reactors for 1-pentene epoxidation

A zeolite-based microengineered reactor was fabricated and tested for 1-pentene epoxidation over titanium silicalite-1 (TS-1) catalyst, which has been selectively incorporated within the microreactor channel using a new synthesis procedure.     

A Geometric Invariant for Metabelian Pro-p Groups

In [2] Bieri and Strebel introduced a geometric invariant forfinitely generated abstract metabelian groups that determineswhich groups are finitely presented. For a valuable survey oftheir results, see [6]; we recall the definition briefly inSection 4. We shall introduce a similar invariant for pro-pgroups. Let F be the algebraic closure of F_p and U be the formal powerseries algebra F[T], with group of units U^x. Let Q be a finitelygenerated abelian pro-p group. We write Z_p[Q] for the completedgroup algebra of Q over Z_p. Let T(Q) be the abelian group Hom(Q,U^x) of continuous homomorphisms from Q to U^x. We write 1 forthe trivial homomorphism. Each vT(Q) extends to a unique continuousalgebra homomorphism from Z_p[Q]to U.     

A finite element method for interface problems in domains with smooth boundaries and interfaces

This paper is concerned with the analysis of a finite element method for nonhomogeneous second order elliptic interface problems on smooth domains. The method consists in approximating the domains by polygonal domains, transferring the boundary data in a natural way, and then applying a finite element method to the perturbed problem on the approximate polygonal domains. It is shown that the error in the finite element approximation is of optimal order for linear elements on a quasiuniform triangulation. As such the method is robust in the regularity of the data in the original problem.     

Density of states and charge distribution in hydrogenated amorphous silicon

The local density of states and the charge distribution in a cluster model of hydrogenated amorphous silicon is calculated using the recursion method. The results indicate an average charge transfer of 0.3 electrons from silicon to hydrogen. In addition Si-H dipoles carry small negative charges, which are neutralized by a positively charged bulk of silicon atoms. There are also static spatial charge fluctuations, which are due to the topological disorder.     

Cross section and stellar reaction rates for the 42Ca(p, γ) reaction

The cross section for the ⁴²Ca(p, γ)⁴³Sc reaction has been measured over the lab energy range from 0.7 to 5.5 MeV using a positron spectrometer to measure the annihilation radiation from the decay of 3.9 h ⁴³Sc. Stellar reaction rates N_A〈σv〉 have been calculated from the experimental cross section curve for a series of three temperatures of interest for explosive oxygen and silicon burning in stars. The calculated rates are compared with the theoretical predictions of Woosley et al. and found to be in agreement within the experimental errors and the quoted validity of the theoretical calculation     

The use of electron impact dissociation and the photon-photon cascade technique to measure the lifetime of the B2Σ+ state of CN

The lifetime of the (B³Σ⁺_{υ= 0, 1} state of the CN radical has been measured by the photon-photon delayed coincidence technique, the CN radical being produced by electron impact dissociation of acetonitrile. This is the first lifetime measurement in a free radical by this method. The optical cascade in the band spectrum of CN used for the present measurement is H²Π_r - B²Σ⁺ - X²Σ⁺. The lifetime of the (B²Σ⁺)_{υ=0, 1} state in CN has been found to be 61.1 ± 7.6 ns.