High spin chemistry underlying organic molecular magnetism: Topological symmetry rule as the first principle of spin alignment in organic open-shell systems of π-conjugation and their ions

This review paper deals with an overview of molecule-based magnetism as a rapidly developing interdisciplinary field, topological symmetry rule as the first principle of spin alignment in organic open-shell systems in the ground state, the proposal of organic through-bond 1D and 2D ferro- and superparamagnets and the detection of the first organic high-spin molecule, m-phenylenebis(phenylmethylene) in the quintet ground state (S = 2), followed by extended organic high-spin systems with π-conjugation such as aromatic hydrocarbons having S = 3, 4, 5. The paper also describes a theoretical approach to the understanding of electronic spin structures of organic high-spin molecules by invoking both Heisenberg and Hubbard model Hamiltonians, weakly interacting intramolecular high-spin systems from both experimental and theoretical sides, the spin density distribution of the first organic high-spin molecule in terms of electron- nuclear multiple resonance spectroscopy and the detection and characterization of ionic high-spin hydrocarbons, emphasizing the establishment of high spin chemistry underlying organic molecular magnetism.     

High sensitivity CW-cavity ring down spectroscopy of water in the region of the 1.5 μm atmospheric window

The absorption spectrum of natural water vapour around 1.5 μm has been recorded with a typical sensitivity of 5 × 10⁻¹⁰ cm⁻¹ by using a CW-cavity ring down spectroscopy set up based on fibred DFB lasers. A series of 31 DFB lasers has allowed a full coverage of the 6130.8-6748.5 cm⁻¹ (1.63-1.48 μm) region corresponding to the H transparency band of the atmosphere. The line parameters (wavenumber and intensity) of a total of 5190 lines, including 4247 lines of water vapor, were derived by a one by one fit of the lines to a Voigt profile. Different isotopologues of water (H₂¹⁶O, H₂¹⁸O, H₂¹⁷O, and HD¹⁶O) present in natural abundance in the sample contribute to the spectrum. For the main isotopologue, H₂¹⁶O, 2130 lines were measured with line intensities as weak as 10⁻²⁹ cm/molecule while only 926 lines (including a proportion of 30% inaccurate calculated lines) with a minimum intensity of 3 × 10⁻²⁷ cm/molecule are provided by the HITRAN and GEISA databases. Our comparison in the whole 5750-7965 cm⁻¹ region, has also evidenced that an error in the process of conversion of the intensity units from cm⁻²/atm to cm⁻¹/(molecule × cm⁻²) at 296 K, has led to H₂¹⁶O line intensities values listed in the HITRAN-2000 database, systematically 8 % below the original FTS values. The rovibrational assignment was performed on the basis of the ab initio calculations by Schwenke and Partridge with a subsequent refinement and validation using the Ritz combination principle together with all previously measured water transitions relevant to this study. This procedure allowed determining 172, 139, 71, and 115 new energy levels for the H₂¹⁶O, H₂¹⁸O, H₂¹⁷O, and HD¹⁶O isotopologues, respectively. The results are compared with the available databases and discussed in regard of previous investigations by Fourier transform spectroscopy. The spectrum analysis has showed that most of the transitions which cannot be assigned to water are very weak and are due to impurities such as carbon dioxide and ammonia, leaving only about 3% of the observed transitions unassigned. The interest of a detailed knowledge of water absorption for trace detectors developed in the 1.5 μm range is underlined: for instance HDO contributes significantly to the considered spectrum while no HDO line parameters are provided by the HITRAN database.     

On tolerance lattices of algebras in congruence modular varieties

We prove that the tolerance lattice TolA of an algebra A from a congruence modular variety V is 0-1 modular and satisfies the general disjointness property. If V is congruence distributive, then the lattice Tol A is pseudocomplemented. If V admits a majority term, then Tol A is 0-modular. This revised version was published online in June 2006 with corrections to the Cover Date.     

Energy storage in Ce-doped LiCaAlF6 and LiSrAlF6 crystals

Absorption, emission and thermoluminescence (TL) of as-grown and X-irradiated pure and Ce-doped LiCaAlF₆ (LiCAF) and LiSrAlF₆ (LiSAF) crystals have been analyzed. It is shown that the energy storage is defined by the dissimilarity of basic matrix properties, intrinsic defect structure, preferred Ce³⁺ ion disposition and charge compensation defect type. This is the reason of higher colorability and TL efficiency of as-grown Ce:LiSAF compared to Ce:LiCAF. Pre-filling of ultra-deep traps leads to enormous increases in the TL response. Due to these properties Ce:LiSAF and Ce:LiCAF are promising thermoluminescent dosimetric materials.     

SCDA for 3D lattice gases with repulsive interaction

The selfconsistent diagram approximation (SCDA) is generalized for three-dimensional lattice gases with nearest neighbor repulsive interactions. The free energy is represented in a closed form through elementary functions. Thermodynamical (phase diagrams, chemical potential and mean square fluctuations), structural (order parameter, distribution functions) as well as diffusional characteristics are investigated. The calculation results are compared with the Monte Carlo simulation data to demonstrate high precision of the SCDA in reproducing the equilibrium lattice gas characteristics. It is shown that similarly to two-dimensional systems the specific statistical memory effects strongly influence the lattice gas diffusion in the ordered states. Received 7 August 2002 / Received in final form 22 January 2003 Published online 24 April 2003     

First measurement of the helicity-dependent γ p?pη differential cross-section

The helicity dependence of the γ p↦pη reaction has been measured for the first time at a center-of-mass angle θ^* _η = 70^° in the photon energy range from 780 MeV to 790 MeV. The experiment, performed at the Mainz microtron MAMI, used a 4π-detector system, a circularly polarized, tagged photon beam, and a longitudinally polarized frozen-spin target. The helicity 3/2 cross-section is found to be small and the results for helicity 1/2 agree with predictions from the MAID analysis. Received: 19 December 2002 / Accepted: 10 March 2003 / Published online: 20 May 2003     

LIPSCHITZ STABILITY OF GENERAL CONTROL SYSTEMS Ⅱ.IN TERMS OF TWO MEASURES

1IntroductionStabilityintermsoftwomeasures,thisconceptenableustounifyava-rietyofstabilityconceptsandtoofferageneralandunifiedframeworkforinvestigationofstabilitytheory.AndtheoriginalLiapunovtheoremshavebeenextended,generalizedandweakenedinvariousaspects[3…     

A decomposition heuristics for the container ship stowage problem

In this paper we face the problem of stowing a containership, referred to as the Master Bay Plan Problem (MBPP); this problem is difficult to solve due to its combinatorial nature and the constraints related to both the ship and the containers. We present a decomposition approach that allows us to assign a priori the bays of a containership to the set of containers to be loaded according to their final destination, such that different portions of the ship are independently considered for the stowage. Then, we find the optimal solution of each subset of bays by using a 0/1 Linear Programming model. Finally, we check the global ship stability of the overall stowage plan and look for its feasibility by using an exchange algorithm which is based on local search techniques. The validation of the proposed approach is performed with some real life test cases. This work has been developed within the research area: “The harbour as a logistic node” of the Italian Centre of Excellence on Integrated Logistics (CIELI) of the University of Genoa, Italy     

Ethylene polymerization by novel Ziegler–Natta‐type catalysts obtained in situ by the oxidative addition of 8‐hydroxyquinoline‐based ligands to bis(1,5‐cyclooctadiene)nickel(0) and methylaluminoxane

Novel catalytic systems, prepared in situ by the oxidative addition of 8‐hydroxyquinoline ligands to bis(1,5‐cyclooctadiene)nickel(0) and activated by methylaluminoxane, were studied in ethylene polymerization. When 8‐hydroxyquinoline was employed, only oligomeric products were obtained. On the contrary, 5,7‐dinitro‐8‐hydroxyquinoline gave linear polyethylene (PE), but with a modest activity. For the catalyst based on 5‐nitro‐8‐hydroxyquinoline, the productivity was largely dependent on the content of free trimethylaluminum (TMA) present in the commercial aluminoxane. The progressive optimization of the TMA/oligomeric methylaluminoxane ratio increased the productivity, which reached 700 kg of PE/(mol of Ni × h), by an order of magnitude. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 200–206, 2006     

Semilinear Differential Inclusions in Separable Banach Spaces

Ｓｅｍｉｌｉｎｅａｒ　Ｄｉｆｆｅｒｅｎｔｉａｌ　Ｉｎｃｌｕｓｉｏｎｓ　ｉｎ　Ｓｅｐａｒａｂｌｅ　Ｂａｎａｃｈ　ＳｐａｃｅｓＸｕｅＸｉｎｇｍｅｉ（薛星美）ａｎｄＳｏｎｇＧｕｏｚｈｕ（宋国柱）（ＤｅｐａｒｔｍｅｎｔｏｆＭａｔｈｅｍａｔｉｃｓ，Ｎａｎｊｉｎ...