Realizing Holonomic Constraints in Classical and Quantum Mechanics

We consider the problem of constraining a particle to a smooth compact submanifold Σ of configuration space using a sequence of increasing potentials. We compare the classical and quantum versions of this procedure. This leads to new results in both cases: an unbounded energy theorem in the classical case, and a quantum averaging theorem. Our two step approach, consisting of an expansion in a dilation parameter, followed by averaging in normal directions, emphasizes the role of the normal bundle of Σ, and shows when the limiting phase space will be larger (or different) than expected. Received: 16 November 2000 / Accepted: 2 February 2001     

trans‐Bis­(diethano­lamine)­bis­(iso­thio­cyanato)­nickel(II)

In the neutral title complex, trans‐bis(2,2′‐imino­di­ethanol‐N,O)­bis­(iso­thio­cyanato)­nickel(II), [Ni(NCS)₂(C₄H₁₁NO₂)₂], the iso­thio­cyanate ions and the di­ethanol­amine mol­ecules act as mono­dentate and bi­dentate ligands, respectively. The Ni^II ion exhibits a distorted octahedral configuration with crystallographically imposed inversion symmetry and N_NCS—Ni—N_amine and N_NCS—Ni—O_amine bond angles of 88.78 (10) and 89.44 (10)°, respectively. The Ni—N bond distances are in the range 2.069 (3)–2.096 (2) Å. The mol­ecules are linked by hydrogen bonds to form a three‐dimensional infinite lattice.     

Advanced excimer-based crystallization systems for production solutions

Line beam excimer laser annealing (ELA) is a well-known technique for thin Si-film crystallization and established in LTPS mass production. With introduction of sequential lateral solidification (SLS) some aspects such as crystalline quality, throughput and flexibility regarding the substrate size could be improved, but for OLED manufacturing still further process development is necessary. This paper discusses line beam ELA and SLS-techniques that might enable process engineers to make polycrystalline-silicon (poly-Si) films with a high degree of uniformity and quality as required for system on glass (SOG) and active matrix organic light emitting displays (AMOLED). Equipment requirements are discussed and compared to previous standards. SEM-images of process examples are shown in order to demonstrate the viability.     

Electroanalytical voltammetry in flowing solutions

A review is given of the principles, key developments and representative applications of small electrodes in flow-through electrochemical (ec) detectors having very low effective dead volume (<10 μl) for voltammetric and amperometric detection in flowing solutions. Emphasis is placed on factors contributing to high sensitivity, reliability and selectivity of ec detection as an integral part of larger analytical systems utilizing continuously flowing, unsegmented streams, e.g., flow-injection and liquid chromatographic analyses. Solid and mercury electrodes are considered under potentiostatic and potentiodynamic control. A review is given also of auxiliary chemical and photolytic derivatizations coupled to ec detection. The majority of the literature on the subject relates to liquid chromatography with electrochemical detection (l.c./ec); however, applications to these concepts to specific examples in flow-injection systems, as well as for on-line process control, should be obvious. Details of chromatographic separations and design of total analytical systems are not reviewed.     

Perturbation of embedded eigenvalues in the generalizedN-body problem

We discuss the perturbation of continuum eigenvalues without analyticity assumptions. Among our results, we show that generally a small perturbation removes these eigenvalues in accordance with Fermi's Golden Rule. Thus, generically (in a Baire category sense), the Schrödinger operator has no embedded non-threshold eigenvalues.Supported in part by NSF Grant DMS 8602826     

The use of a highly sulfated cyclodextrin for the simultaneous chiral separation of amphetamine-type stimulants by capillary electrophoresis

We investigated the simultaneous chiral separation of nine amphetamine type stimulants (dl-norephedrine, dl-norpseudoephedrine, dl-ephedrine, dl-pseudoephedrine, dl-amphetamine, dl-methamphetamine, dl-methylenedioxyamphetamine (MDA), dl-methylenedioxymethamphetamine (MDMA), and dl-methylenedioxyethylamphetamine (MDEA)) by capillary electrophoresis using highly sulfated gamma-cyclodextrin (SU(XIII)-gamma-CD) as a chiral selector. Three different approaches using SU(XIII)-gamma-CD with 50 mM phosphate background electrolyte were designed; (I) high CD concentration (10 mM SU(XIII)-gamma-CD) at neutral pH (pH 7.0) in the normal polarity mode, (II) low CD concentration (1.0 mM) at low pH (pH 2.6) in the normal polarity mode and (III) high CD concentration at low pH (pH 2.6) in the reversed-polarity mode. In mode (II), the effects of adding three neutral CDs (beta-CD, dimethyl-beta-CD and hydroxypropyl-beta-CD) were also investigated. The best separation was obtained after optimizing mode (III) as follows: run buffer of 10 mM SU(XIII)-gamma-CD with 50 mM phosphate background electrolyte at pH 2.6, applied voltage of -12 kV and capillary temperature of 15 degrees C.     

New calculations on the ion-molecule processes C2H2(+) + H2 --> C2H3(+) + H and C2H2(+) + H2 --> C2H4+

New high-level quantum chemical calculations have been undertaken to understand the rates and mechanisms of the reactive and associative channels for the reactants C2H2(+) + H2. The reactive channel, which produces C2H3(+) + H, has been shown to be slightly endothermic, confirming earlier calculations at a somewhat lower level and in agreement with some recent experimental work. The associative channel, leading to C2H4+, has been shown to proceed via a transition state with negative energy relative to the reactants, so that association is predicted to be efficient. This result is in conflict with an earlier theoretical study but in agreement with low-temperature experimental measurements.     

Mono- and bimetallic chromium(III) complexes containing 2,3,5,6-tetrakis-(α-pyridyl)pyrazine as a tridentate ligand: synthesis and spectroscopic characterization

We have investigated the reactions between 2,3,5,6-tetrakis(α-pyridyl)pyrazine (TPP) and CrCl₃ · 6H₂O in 1:2 and 2.6:1 (Cr^III:TPP) stoichiometric ratios. The resulting products, [Cr(TPP)Cl₃] (1) and [(CrCl₃)₂-μ-TPP] (2), respectively, have been characterized by elemental and thermogravimetric analyses, molar conductivities, vibrational and electronic spectroscopy, and powder e.p.r. spectroscopy at room temperature. In both (1) and (2), TPP behaves as a tridentate ligand. Whereas (1) is a monometallic species with three uncoordinated nitrogen atoms, (2) is bimetallic with TPP as a bridging ligand.