Search results for "Surfaces"
showing 10 items of 2837 documents
Prediction of Indices of Refraction and Glass Transition Temperatures of Linear Polymers by Using Graph Theoretical Indices
2002
Graph theoretical indices were exclusively used in the prediction of indices of refraction, n, and glass transition temperatures, Tg, into a group of addition polymers. Models with 10 variables were selected for the prediction of n (r = 0.981, SEE = 0.0147) and Tg/M (r = 0.946, SEE = 0.439). The average errors in the predictions were 0.69% and 12.7% for n and Tg, respectively. The descriptors involved in these models were calculated from the structures of the monomers.
Synthesis of chemisorbed imidazolium and phosphonium cations by reaction of ionic liquid precursors with silica.
2010
The reaction of four different basic ionic liquid precursors with Aerosil®300 is presented. Chemisorbed imidazolium and phosphonium cations, with silanolate anions as part of the silicatic support, were obtained and investigated with various solid state NMR techniques.
Recognition and sensing of fluoride anion.
2009
Fluoride anion recognition is attracting a mounting interest in the scientific community due to its duplicitous nature. It is a useful chemical for many industrial applications, and it has been used in human diet, but, recently it has been accused for several human pathologies. Here we describe the ample panorama of different approaches the chemists world-wide have employed to face the challenge of fluoride binding, and we outline some of the research which in our view can contribute to the development of this field, especially when fluoride binding has to be achieved in highly competitive protic solvents and water.
An efficient synthesis of new fluorinated uracil derivativesElectronic supplementary information (ESI) available: general procedures for the preparat…
2003
A series of potentially biologically active fluorinated uracil derivatives has been prepared in three steps from oxazolines and fluorinated nitriles with good chemical yields.
Über Inhibitoren der Korrosion III. Nachweis und Eigenschaften einiger mit Inhibitoren in Salzsäure aufgebauter Schutzschichten auf Eisen
1964
Fur den Aufbau einer Schutzschicht durch den Inhibitor oder eines seiner Folgeprodukte sprechen folgende Befunde: 1 Erhaltung der Schutzwerte nach Ubertragung inhibierter Drahte in inhibitorfreie, frische Salzsaure. 2 Verfolgung des zeitlichen Aufbaus der Schutzschicht durch den gleichen Test. 3 Erhaltung oder Verringerung der Schutzwirkung der inhibierten Drahte (a) durch Behandlung mit verschiedenen Losungsmitteln und (b) durch Bestimmung der thermischen Stabilitat der Schutzschicht. 4 Der an Blei- bzw. Quecksilberkathoden beobachtete Abbau quaternarer Phosphonium- und Arsoniumsalze eroffnet moglicherweise einen Zugang zu den am Aufbau der Schutzschichten beteiligten Verbindungen. On corr…
Uranium( iv ) cyclobutadienyl sandwich compounds: synthesis, structure and chemical bonding
2019
The 1 : 1 reactions of uranium(IV) tetrakis(borohydride) with the sodium and potassium salts of the cyclobutadienyl anion [C4(SiMe3)4]2− (Cb′′′′) produce the half-sandwich complexes [Na(12-crown-4)2][U(η4-Cb′′′′)(BH4)3] and [U(η4-Cb′′′′)(μ-BH4)3{K(THF)2}]2. In the 1 : 2 reaction of U(BH4)4 with Na2Cb′′′′, formation of [U(η4-Cb′′′′)(η3-C4H(SiMe3)3-κ-(CH2SiMe2)(BH4))]− reveals that a Cb′′′′ ligand undergoes an intramolecular deprotonation, resulting in an allyl/tuck-in bonding mode. A computational study reveals that the uranium–Cb′′′′ bonding has an appreciable covalent component with contributions from the uranium 5f and 6d orbitals. peerReviewed
Non-covalent graphene nanobuds from mono- and tripodal binding motifs.
2017
Graphene nanobuds were prepared via the non-covalent anchoring of C60-based molecules endowed with one or three pyrene units, respectively. TGA, FTIR, UV-Vis and TEM investigations confirmed the formation of nanohybrids. For the two molecular derivatives, striking differences were determined in their interaction with graphene or carbon surfaces by Raman, cyclic voltammetry and molecular mechanics calculations, revealing the important role of pyrene adsorption in modulating the electronic properties of the nanohybrids.
Temperature-Induced Structural Transitions in the Gallium-Based MIL-53 Metal–Organic Framework
2013
We report a structural and thermodynamic investigation of the phase behavior of Ga(OH,F)-MIL-53, a gallium-based metal–organic framework (MOF) having the MIL-53 topology containing 0.7 wt % fluorine bonded to the metal. Despite some small structural differences, especially for the hydrated form, the overall physical chemistry behavior of Ga(OH,F)-MIL-53 is very similar to standard fluorine free Ga-MIL-53 material. A combination of in situ X-ray diffraction, in situ Fourier transform infrared spectroscopy, differential scanning calorimetry, and heat capacity measurements allowed us to establish that Ga(OH,F)-MIL-53 under vacuum (i.e., the empty material) exhibits two stable phases: a nonporo…
l-Arabinose Conformers Adsorption on Ruthenium Surfaces: A DFT Study
2012
Adsorption of 5 L-arabinose tautomers – one acyclic and four cyclic (α and β, pyranose and furanose) species – on a ruthenium surface was studied as a precursor-process of the, nowadays more and more, industrially important sugar catalytic hydrogenation on metal surfaces in water medium. The study was mostly referred to a 37-atom metal catalyst fragment, even though border-effects on the adsorption processes were also checked employing a 61-atom metal fragment. In order to figure out conformational effects on the title process the tautomer flexibility was, at first, investigated by the genetic-algorithm based code Balloon, considering the conformational spaces of the different aquo tautomer…
Rhodium catalyzed oxidative coupling of salicylaldehydes with diazabicyclic olefins: a one pot strategy involving aldehyde C–H cleavage and π-allyl c…
2013
An efficient one pot strategy for the synthesis of cyclopentene fused chromanone derivatives through the direct oxidative coupling of salicylaldehydes with bicyclic olefins in the presence of a rhodium-copper catalyst system is described. This is the first report on the ring opening-ring closing of bicyclic hydrazines via metal catalyzed oxidative coupling reaction.