Search results for "complexe"

Vers une géo-ontologie pour les Systèmes Energétiques Territoriaux (SET)

2009

International audience; Cette communication vise à explorer les bases d'une ontologie de domaine, à travers une illustration géographique de la thématique énergétique, reposant sur la considération des Systèmes Energétiques Territoriaux. Dans une perspective d'observation des territoires et d'aide à la décision, l'objectif final est de parvenir à une instrumentation sous la forme d'un observatoire. Cette application informatique nécessite de structurer et de représenter des connaissances. Elle s'accompagne d'une phase préalable de modélisation qui consiste en l'identification des entités significatives du domaine, de la sémantique à leur affecter, et des processus à leur attacher. De plus, …

Du territoire au territoire par l'observation, prendre en compte la diversité des territoires et adapter les méthodes et les outils aux nouvelles dem…

2008

We propose a conceptual and graphical model of the territory built from an empirical intuitive and deductive approach of systemic paradigm of territorialization. This model is based on an individualized approach before being extended to the collective level. It is first seen in the context of the evolution of the concept in scientific thinking. Then, we introduce it in understanding the dynamics of the territory, under the paradigm of territorial intelligence, through observation and observatories that we adapt to the context of governance systems at different scales.

Du territoire au territoire par l'observation, prendre en compte la diversité des territoires et adapter les méthodes et les outils.

2008

We propose a conceptual and graphical model of the territory built from an empirical intuitive and deductive approach of systemic paradigm of territorialization. This model is based on an individualized approach before being extended to the collective level. It is first seen in the context of the evolution of the concept in scientific thinking. Then, we introduce it in understanding the dynamics of the territory, under the paradigm of territorial intelligence, through observation and observatories that we adapt to the context of governance systems at different scales.

Crystal structure of trans-di­chlorido­(4-nitro­aniline-κN 1)(piperidine-κN)platinum(II)

2015

The packing of the title compound features N—H⋯Cl hydrogen bonds and π–π stacking inter­actions, which form one-dimensional chains of mol­ecules parallel to [001] further linked via N—H⋯O inter­actions.

Sintesi di complessi metallici e studio della loro interazione con acido desossiribonucleico.

2011

Dioxomolybdenum(VI) and -Tungsten(VI) Amino Bisphenolates as Epoxidation Catalysts

2016

Low-cost metallate salts Na2MO4·2H2O (M = molybdenum, tungsten) react with a tridentate amine bisphenol bis(2-hydroxy-3-tert-butyl-5-methylbenzyl)methylamine (H2ONOtBu) under ambient conditions in acidic methanol solutions. The reactions lead to the formation of isostructural dioxo complexes [MO2(ONOtBu)(MeOH)]·MeOH in convenient yields. Spectral data as well as X-ray analyses reveal these complexes to be isostructural. Both compounds were tested as catalysts for epoxidation of olefins using cis-cyclooctene, cyclohexene, norbornene and styrene as substrates and tert-butyl hydroperoxide and hydrogen peroxide as oxidants. The molybdenum complex catalyses selectively the oxidation of cis-cyclo…

On the mechanism of imine elimination from Fischer tungsten carbene complexes

2016

(Aminoferrocenyl)(ferrocenyl)carbene(pentacarbonyl)tungsten(0) (CO)5W=C(NHFc)Fc (W(CO)5(E-2)) is synthesized by nucleophilic substitution of the ethoxy group of (CO)5W=C(OEt)Fc (M(CO)5(1Et)) by ferrocenyl amide Fc-NH– (Fc = ferrocenyl). W(CO)5(E-2) thermally and photochemically eliminates bulky E-1,2-diferrocenylimine (E-3) via a formal 1,2-H shift from the N to the carbene C atom. Kinetic and mechanistic studies to the formation of imine E-3 are performed by NMR, IR and UV–vis spectroscopy and liquid injection field desorption ionization (LIFDI) mass spectrometry as well as by trapping experiments for low-coordinate tungsten complexes with triphenylphosphane. W(CO)5(E-2) decays thermally i…

Cadmium Metal–Organic Frameworks Based on Ditopic Triazamacrocyclic Linkers: Unusual Structural Features and Selective CO 2 Capture

2017

International audience; Two three-dimensional cadmium metal organic frameworks with general formula [Cd-2(L-1)(H2O)(3)](NO3)(0.7)(HCOO)(0.2)Br-0.1 (Cd2L1, L-1 = 1,4,7-tris(4-carboxybenzy1)-1,4,7-triazacyclononane) and Cd(HL2)(H2O)(2) (CdL2, L-2 = 1,4,7-tris(3-(4-benzoate)prop-2-yn-1-yl)-1,4,7-triazacydononane) based on 1,4,7-triazacyclononane N-functionalized by different arylcarboxylic acids were prepared under solvothermal conditions and characterized by single crystal X-ray analysis and porosity measurements. The crystal structure of Cd2L1 reveals a cationic net with a bcs topology,. and nodes are constituted by dinuclear cadmium complexes, in which each cadmium atom adopts a hexacoordin…

Etude théorique de surfaces d'énergie potentielle, de moment dipolaire et de polarizabilité des complexes de van der Waals CH4-N2 et C2H4-C2H4

2010

In the present thesis both ab initio and analytical calculations were carried out for thepotential energy, dipole moment and polarizability surfaces of the weakly bound van der Waals complexes CH4-N2 and C2H4-C2H4 for a broad range of intermolecular separations and configurations in the approximation of the rigid interacting molecules. For ab initio calculations the CCSD(T), CCSD(T)-F12 and less computationally expensive methods such as MP2, MP2-F12, SAPT, DFT-SAPT were employed (for all methods the aug-cc-pVTZ basis set was used). The BSSE correction was taken into account during the calculations. The analytical calculations were performed in the framework of the classical long-range appro…

Ground and first excited electronic state interaction of FAD with some β-carboline derivatives

1987

Abstract The spectrophotometric and thermodynamic properties of molecular complexes of flavine adenine dinucleotide (FAD) with some dihydro β-carboline derivatives have been investigated in aqueous solution. The molecular associations have been examined by means of electronic absorption spectra, since in each a new charge-transfer band has been located, and also the variation of the fluorescence emission of FAD on the solutions has been observed. The formation constants for the molecular complexes were determined from absorption data, using the Foster-Hammick-Wardley method. The quenching fluorescence phenomena observed in FAD is related to the concentration of the dihydro β-carboline deriv…