Fully rotationally resolved ZEKE photoelectron spectroscopy of C6H6 and C6D6: photoionization dynamics and geometry of the benzene cation

A comprehensive set of spectra for the benzene cation and the perdeuterated benzene cation has been recorded with full rotational resolution using zero kinetic energy photoelectron spectroscopy (ZEKE) at high resolution (up to 0.2 cm^?1), using a slow-rising extraction pulse. With different rovibronic levels in the S₁ 6^l state as intermediate resonance, the rotational transitions to the vibronic ground state of the cation have been recorded using two-colour, two-photon resonance enhanced multiphoton ionization. A simple spectator model has been employed to simulate the intensities of the ZEKE transitions. By fitting the simulations to the recorded spectra, improved values for the rotational constants and the Coriolis coupling parameters of benzene and perdeuterated benzene have been obtained. The CC and CH bond lengths of the cation have been deduced. The spectator model is shown to be reliable despite the fact that no specific allowance is made for the effect of final state interactions on the signal intensity.     

Über periodizitätseigenschaften spieltheoretischer lernprozesse

Ohne ZusammenfassungBesonders bedanken möchte ich mich bei Herrn Prof. K.Jacobs fÜr sein dauerndes Interesse an meinen BemÜhungen.     

Quasi-uniformization of topological spaces

Mathematische Annalen -     

Vector bosons in the expanding universe

We exactly solve the relativistic wave equation for vector bosons in the expanding universe and show that the current of the vector bosons in this background is rapidly oscillating in early time. Additionally, we derive the solutions of the Proca equation from the solutions of the Duffin-Kemmer-Petiau (DKP) equations in the same background and obtain the massless-particle, photon, solutions by taking the limit of these solutions. PACS. 03.65.Pm, 04.60.-m, 98.80.Cq Received: 20 May 2005, Published online: 30 August 2005     

The strong solution of the Monge–Ampère equation on the Wiener space for log-concave densities

Let (W,H,μ) be an abstract Wiener space, assume that $\text{d}\text{ν=L}\text{d}\text{μ}$ is a second probability measures on $\text{(W,}\text{B}\text{(W))}$ such that $\text{L=}\text{1}\text{c}\text{exp}\text{?f}$, with $\text{f∈}\text{D}{}_{\mathrm{2,1}}$ lower bounded and H-convex. Let $\text{T=I}{}_{\mathrm{W}}\text{+??,}\text{?∈}\text{D}{}_{\mathrm{2,1}}$, be the solution of the Monge problem transporting μ to ν and realizing the H-Wasserstein distance between μ and ν. We prove that $\text{?∈}\text{D}{}_{\mathrm{2,2}}$ hence the Gaussian Jacobian $\text{Λ=}\text{det}{}_2\text{(I+?}{}^2\text{?)}\text{exp}\text{{}\text{L}\text{??1/2|??|}{}_{\mathrm{H}}{}^2\text{}}$ is well-defined and T is the strong solution of the Monge–Ampère equation ΛL°T=1 a.s. on W. To cite this article: D. Feyel, A.S. Üstünel, C. R. Acad. Sci. Paris, Ser. I 339 (2004).     

Composite polymer particles prepared with different amounts of acrylic acid and their usefulness as carriers for biomolecules

Modification of surface properties of polymer particles suitable for biomedical application has been done by incorporating acrylic acid (AA) as a hydrophilic component. First, submicron-sized poly(methyl methacrylate) seed particles were prepared by soap-free emulsion polymerization. Then, seeded emulsion copolymerizations were carried out with varying proportions of AA and methyl methacrylate (MMA). MMA was used as a comonomer to prevent the dissolution of AA from the polymer particles. The adsorption behaviors of different biomolecules indicate that the surface of the composite polymer particles is sufficiently hydrophilic, particularly at higher AA content. Specific activities of adsorbed trypsin on the composite polymer particles were also comparatively high compared to free trypsin, which suggests that the adsorbed trypsin undergoes only slight conformational change owing to the interaction with the surface of particles.     

Global Optimization: On Pathlengths in Min-Max Graphs

Let f be a smooth nondegenerate real valued function on a finite dimensional, compact and connected Riemannian manifold. The bipartite min-max graph is defined as follows. Its nodes are formed by the set of local minima and the set of local maxima. Two nodes (a local minimum and a local maximum) are connected in by means of an edge if some trajectory of the corresponding gradient flow connects them. Given a natural number k, we construct a function f such that the length of the shortest path in between two specific local minima exceeds k. The latter construction is independent of the underlying Riemannian metric.     

On the mechanism of the N,N‐dimethyl amination of Grignard reagents: a kinetic study

A direct kinetic study is reported for the electrophilic amination of substituted phenylmagnesium bromides with N,N‐dimethyl O‐(mesitylenesulfonyl)hydroxylamine in THF. Rate data, Hammett relationship, and activation entropy are consistent with a S_N2 displacement involving the attack of carbanions to sp³N in the amination reagent (AR). Copyright © 2007 John Wiley & Sons, Ltd.     

Hydroxy and methoxy substituted N 1,N 4-diarylidene-S-methylthiosemicarbazone iron(III) and nickel(II) complexes

Template reactions of 2,4-dihydroxy-, 2,5-dihydroxy-, 2-hydroxy-3-methoxy- and 2-hydroxy-4-methoxy-benzaldehyde with methoxy- and hydroxy-substituted salicylaldehyde S-methylthiosemicarbazones in the presence of NiCl₂ and FeCl₃ resulted in the corresponding hydroxy- and methoxy-substituted N¹,N⁴-diarylidene-S-methylthiosemi-carbazone complexes. Characterization of the compounds, [Fe(L)Cl] and [Ni(L)], was accomplished by means of elemental analysis, conductivity and magnetic measurements, i.r. and ¹H-n.m.r. spectra. A systematic trend has been observed for the chemical shift values of the aromatic protons in the spectra of complexes.     

Reactions of 1‐amino‐5‐benzoyl‐4‐phenyl‐1H‐pyrimidine‐2‐one with carboxylic anhydrides: Experimental data and AM1 calculations

1‐Amino‐5‐benzoyl‐4‐phenyl‐1H‐pyrimidine‐2‐one 1 reacts with several carboxylic anhydrides 2a‐d under different conditions and gives new amide and imide derivatives. The structure of these compounds, 3a‐d , are determined by spectroscopic methods. Electronic and geometric structures of reactants, transition states, intermediates and final products of the reaction are calculated by the AM1 method. Transition states are further confirmed by vibrational analysis (computation of force constants analytically) and characterized by the corresponding imaginary vibration modes and frequencies.