Search results for "MOLECULE"
showing 10 items of 5162 documents
Reversible self-assembly of metal chalcogenide/metal oxide nanostructures based on Pearson hardness.
2010
Nanotechnology has reached a stage of development where not individual nanoparticles but rather systems of greater complexity are the focus of concern. These complex structures incorporate two or more types of materials, an example of which is the formation of metal–semiconductor hybrids, which effectively combine the properties of both materials. The assembly of multicomponent nanoparticles from constituents with different optical, electrical, magnetic, and chemical properties can lead to novel functionalities that are independent of the individual components and may be tailored to fit a specific application. These applications include such far-reaching challenges as solar energy conversio…
Quadruply-bonded dimolybdenum compounds: Reactivity towards TCNE. Structural evidences for the 1-D polymer [Mo2(O2 CCF3)4(TCNE)]∞
2005
cited By 3; International audience; Reaction of [Mo2(O2CR)4] (R = CF 3, 1) with TCNE in toluene affords the new compound [Mo2(O2CCF3)4 (TCNE)·6H5CH3 (2). The structure of 2 is built on [Mo2(O2 CCF3)4] fragments having the usual paddlewheel structure of 1 (Mo-Mo 2.1117(8) Å) and TCNE units. Each polynitrile moiety acts as a bridging ligand between two Mo2 fragments (Mo-N 2.875(4) Å) affording 1-D polymeric chains crossing in the crystal; the toluene molecules occupy the cavities between the chains. 13C NMR, IR and electrochemical data clearly show that formation of 2 does not involve electron density transfer from dimolybdenum fragment to the TCNE unit, which remains in 2 in its neutral stat…
Coordination chemistry on surfaces through vapor phase processing: smart molecular/graphene heterostructures based on spin-crossover complexes and 2D…
2023
Los compuestos de coordinación están últimamente focalizando la atención de los investigadores en el campo de la nanociencia. Particular interés están generando aquellos compuestos con propiedades magnéticas de cara a su integración a la nanoescala en ramas como la electrónica y/o la espintrónica moleculares. Sin embargo, para su uso real en dispositivos destinados a estas aplicaciones, su procesabilidad es un requisito indispensable. En el marco de esta necesidad, la presente tesis doctoral se ha destinado al estudio del procesado sobre superficies mediante técnicas de fase gas de dos tipos distintos de compuestos de coordinación. Por tanto, el trabajo se ha dividido en dos partes. La prim…
Theoretical study of nitrogen heterocyclics. IV. Molecular diagrams and carcinogenic activity of some naphthindoles
2010
Molecular-orbital calculations of structural static parameters (bond orders, π-electron densities and free valences) and dynamic indices (atom, ortho- and para-localization energies) are presented for a number of naphthindoles. The results are used to predict the chemical properties of the molecules. We have made a comparison of the carcinogenic inactivity and the static and dynamic complex indices used to characterize the K region in some benzindoles and these naphthindoles.
Effects of ligand substitution on the excited state dynamics of the Ru(dcbpy)(CO)2I2 complex
2003
Abstract Spectroscopic evidence suggest [PCCP 3 (2001) 1992] that illumination with visible light of the [trans-I-Ru(dcbpy)(CO)2I2] (dcbpy= 4,4′-dicarboxy-2,2′-bipyridine) complex in solution induces dissociation of a CO group followed by reorganization of the ligands and attachment of a solvent molecule. In the present study, we report results on excited state dynamics of this ruthenium complex and its photoproduct. Femtosecond transient absorption measurements reveal dominance of excited state absorption of the reactant and the photoproduct [cis-I-Ru(dcbpy)(CO)(Sol)I2] (Sol=ethanol or acetonitrile) in the visible spectral region. The time-resolved measurements for the reactant at 77 K ind…
Water Adsorption Properties of Free and Dehydrated β-Cyclodextrin Studied by near Infrared Spectroscopy and Gravimetry
2016
β-cyclodextrin, like other carbohydrates has a tendency to adsorb water molecules and the properties are attributed to the hydroxyl groups in the molecules. β-cyclodextrin, the cyclic oligomer of glucose has a hydrophobic interior and hydrophilic exterior. The cyclic structure favours the formation of hydrogen bonds between the OH groups on the adjacent glucose units and affects the formation of hydrogen bonds with water molecules. The hydoxyl groups engaged in hydrogen bondings can be eliminated at high temperatures and the adsorption properties of the dehydrated β-cyclodextrin will depend on the new functional groups formed. The aim of the report is to discuss the issue of the water adsor…
Sequential Reactions of Alkynes on an Iridium(III) Single Site
2017
Sequential insertion of terminal alkynes on IrIII cyclometalated complexes allow the formation of novel metallapolycycles in a controlled and efficient manner. ortho-Methylarylethynyl derivatives led to an unprecedented cascade combination of three fundamental processes (C−C bond formation, C(sp3)−H activation, and reductive coupling) on a single IrIII center, in a process compatible with functionalized biomolecules and photoactive substrates. The reaction with tert-butylacetylene led to a [6,5,4]-polycycle that incorporates an iridacyclobutenylidene in its structure. The sequence is a multicomponent reaction in which the metal not only promotes the different steps but also determines their…
Visible Light-Induced Sulfonylation/Arylation of Styrenes in a Double Radical Three-Component Photoredox Reaction
2019
Simultaneous sulfonylation/arylation of styrene derivatives is achieved in a photoredox-catalyzed three-component reaction using visible light. A broad variety of difunctionalized products is accessible in mostly excellent yields and high diastereoselectivity. The developed reaction is scalable and suitable for the modification of styrene-functionalized biomolecules. Mechanistic investigations suggest the transformation to be operating through a designed sequence of radical formation and radical combination.
Polyaminocyclodextrin nanosponges: synthesis, characterization and pH-responsive sequestration abilities
2016
New pH-responsive nanosponges were obtained by reacting four different polyaminocyclodextrins with heptakis-(6-bromo)-(6-deoxy)-β-cyclodextrin. The materials obtained were characterized by various techniques (FT-IR, potentiometric titration, differential scanning calorimetry (DSC), porosimetry (BET), 13C{1H} CP-MAS NMR). Their adsorption abilities at different pH values were verified towards a suitable set of model guests, and seem mainly controlled by electrostatic interactions, as a function of the protonation/charge status of the polymer matrix. By contrast, data positively point out a lesser importance assumed by the induced-fit effect, important in affecting the formation of host–guest…
Achieving Strong Positive Cooperativity through Activating Weak Non-Covalent Interactions
2018
Positive cooperativity achieved through activating weak non-covalent interactions is common in biological assemblies but is rarely observed in synthetic complexes. Two new molecular tubes have been synthesized and the syn isomer binds DABCO-based organic cations with high orientational selectivity. Surprisingly, the ternary complex with two hosts and one guest shows a high cooperativity factor (α=580), which is the highest reported for synthetic systems without involving ion-pairing interactions. The X-ray single-crystal structure revealed that the strong positive cooperativity likely originates from eight C-H⋅⋅⋅O hydrogen bonds between the two head-to-head-arranged syn tube molecules. Thes…