Search results for "Monoxide"
showing 10 items of 133 documents
Vibrational Properties of CuO and Cu4O3 from First-Principles Calculations, and Raman and Infrared Spectroscopy
2012
International audience; A combined experimental and theoretical study is reported on the vibrational properties of tenorite CuO and paramelaconite Cu4O3. The optically active modes have been measured by Raman scattering and infrared absorption spectroscopy. First-principles calculations have been carried out with the LDA+U approach to account for strong electron correlation in the copper oxides. The vibrational properties have been computed ab initio using the so-called direct method. Excellent agreement is found between the measured Raman and infrared peak positions and the calculated phonon frequencies at the Brillouin zone center, which allows the assignment of all prominent peaks of the…
Spectroscopic markers of the T-R quaternary transition in human hemoglobin
2004
n questo lavoro, usiamo un protocollo sol-gel per intrappolare e confrontare gli stati quaternari R e T di entrambi i deossigenati (deossiHb) ederivati di ossido di carbonio (HbCO) dell'emoglobina umana. La banda di assorbimento ottico del vicino infrarosso III e lo stretching di CO a infrarossibanda sono utilizzati per rilevare l'effetto della struttura quaternaria sulle proprietà spettrali di deoxyHb e HbCO; confronto con mioglobinaconsente una valutazione dei contributi terziari e quaternari ai turni di banda misurati. La RXLa transizione T è indicata per causare un bluspostamento della banda III di ~ 35 cm?1per deoxyHb e uno spostamento rosso della banda di allungamento CO di soli ~ 0…
Methane and carbon monoxide infrared emissions observed at the Canada-France-Hawaii Telescope during the collision of comet SL-9 with Jupiter
1995
Observations with the Fourier Transform Spectrometer were conducted in spectral ranges from 1.6 to 4.7 µm from July 17 to 21 (UT) on the hot plumes appearing on the limb as well as hours or days after the impacts. We present here an analysis of the methane emission observed at 3.3 µm some 10 min after the C impact, indicating the presence of a very small (less than 100 km wide) hot region with temperatures in the 750–1500 K range within the 0.1- to 0.01-mbar region. We also report the detection of CO emission at 4.7 µm 4.5 hrs after the L impact, indicative of a temperature of 274±10 K at the ∼1016 CO molec cm−2 level. The observations suggest that the stratospheric temperature decreases wi…
Synthesis of Cyclometalated Rhodium(III) Complexes. Study of the Carbonyl Insertion Reactions into the Rh-C Bond of the Metalocycle
1991
Abstract In this paper we report the preparation of new orthometalated rhodium(III) compounds of the formula Rh(oq)(AB)(PC), from Rh(oq)(Br)(PC)(H20), AB being a bidentade anionic ligand, oq= 8-oxyquinolate and PC = P(o-C6F4)Ph2. Their redox behaviour is also described. The reaction of Rh(Oq)(Br)(PC)(H20) [Oq = 5-Me-8-oxyquinolate (5-Meoq), 8-oxyquinolate] with carbon monoxide under pressure leads to expansion of the metalocycle ring by CO insertion into the Rh-C bond.
Five coordinate complexes of the type Rh(SnCl3)(NBD)L2
1983
Several new rhodium complexes of general formulation Rh(SnCl3)(NBD)L2 (L=P(OMe)3, P(OMe)2Ph, P(OMe)Ph2, P(OEt)3, P(OEt)2Ph, P(OEt)Ph2, P(O-i-Pr)3, P(OPh)3) have been prepared and characterized by elemental analysis and by i.r. and n.m.r. spectroscopy. The complexes show low or no conductivity in acetone solution and react with carbon monoxide (1 atm).
Review: monoclinic zirconia, its surface sites and their interaction with carbon monoxide
2015
This review concerns monoclinic zirconia, its surface sites and their probing with carbon monoxide. The surface sites and their modifications using thermal treatments with vacuum or reactive gases are also included. In this work, we present information on the nature and manipulation of hydroxyl species and their quantities on the surface, the different types of cationic sites where CO is adsorbed linearly and their energetics, as well as the surface sites and dynamics of formate formation. We also compare the surface concentrations of the different surface species to better understand the extent and nature of the interactions. Finally, we discuss some of the remaining open questions and how…
Au deposited on CeO2 prepared by a nanocasting route: A high activity catalyst for CO oxidation
2014
Abstract A set of catalysts comprised of gold on different CeO 2 supports has been prepared by a nanocasting route and characterized by several physicochemical techniques. These catalysts have been tested for CO oxidation and show outstanding catalytic activity. Higher calcination temperatures of the hard template, producing a poorly ordered silica template, have led to a higher amount of oxygen vacancies on the surface of CeO 2 . The presence of surface oxygen defects in the support combined with the deposition of Au nanoparticles ( ca. 3 nm) homogeneously dispersed on the CeO 2 support may explain the excellent behaviour for low temperature CO oxidation. Surprisingly, it has been observed…
A mass-independent expanded Dunham analysis of aluminum monoxide and aluminum monosulfide
2018
Abstract Pure rotational transitions of 27Al16O, 27Al18O, 27Al32S, and 27Al34S are recorded in the vibrational ground state and singly excited vibrational state using a mm-wavelength supersonic jet spectrometer in combination with a laser ablation source. In total 275 rotational transitions have been assigned. For the first time, mass-independent expanded Dunham analyses are performed using isotopologues of aluminum monoxide and aluminum monosulfide. The breakdown of the Born-Oppenheimer approximation is observed. Based on these mass-independent analyses, frequency positions of pure rotational transitions of the rare radioactive isotopologues 26AlO and 26AlS are predicted with uncertainties…
CO Oxidation on Cationic Gold Clusters: A Theoretical Study
2008
Aiming at understanding the elementary steps governing the oxidation of CO catalyzed by dispersed or supported gold nanoclusters, the reactivity of molecular species, such as O2 and CO, on neutral and positively charged Au13 clusters have been studied using a DFT approach. Two CO oxidation mechanisms have been simulated, involving respectively the adsorption of CO and O2 on adjacent catalytic sites (two-sites mechanism) and the competitive interaction of the reactants on the same site (single-site mechanism). It is demonstrated that in the former scheme a definite interaction of CO and O2 with both the charged and neutral cluster is effective, but that a chemical reaction between the adsorb…
Alkyl and aryl substituted corroles. 3. Reactions of cofacial cobalt biscorroles and porphyrin-corroles with pyridine and carbon monoxide.
2002
The synthesis and characterization of three new cofacial biscorroles and three new linked Co(II) porphyrins and Co(III) corroles with the same face to face orientation are described. The biscorroles are represented as (BCS)Co(2), (BCO)Co(2), (BCX)Co(2) while the porphyrin-corrole dyads are represented as (PCA)Co(2), (PCB)Co(2), (PCO)Co(2) where BC represents the Co(III) cofacial biscorroles and PC represents the porphyrin-corrole complexes which are linked to each other by a dibenzothiophene (S), dibenzofuran (O), or 9,9-dimethylxanthene (X) bridge in the case of the corroles and an anthracene (A), biphenylene (B), or dibenzofuran (O) bridge in the case of the mixed macrocycle derivatives. …