Solid Carbon Monoxide Research Articles

Vibrational IR Spectra of Solid Carbon Monoxide

The vibrational energy levels of solid carbon monoxide are calculated, by considering a local Hamiltonian with the Morse potential with the use of the U(2) algebra. Each bond of the molecule is changed by a corresponding Lie algebra, and, finally, the local Hamiltonian is constructed with the help of interacting Casimir and Majorana operators. Only the fundamental infrared stretching modes of vibration of solid carbon monoxide are then calculated, by using that Hamiltonian, and are compared with the experimental results.

One-pot synthesis of benzazoles and quinazolinones via iron pentacarbonyl mediated carbonylation of aryl iodides under microwave irradiation

A direct and unconventional method for the synthesis of benzazoles and quinazolinones is discovered by using iron pentacarbonyl as a reducing agent and a solid carbon monoxide source under microwave irradiation.

Catalytic oxidation of solid carbon and carbon monoxide over cerium‐zirconium mixed oxides

A series of cerium‐zirconium mixed oxides was prepared and evaluated in the catalytic oxidation of solid coke with 10 vol % O2 in He at 673 K using a thermogravimetric analyzer. The measured first order rate constant for coke oxidation was proportional to the catalyst loading when the mass ratio of catalyst to coke was low, which enabled the calculation of a surface area specific reaction rate. The validity of the normalization method was confirmed by performing CO oxidation over the cerium‐zirconium mixed oxides in a fixed bed reactor at 573 K. Although there was no correlation between the coke oxidation rate and the oxygen storage capacity or the reducibility of the catalysts, there was an excellent correlation to the CO oxidation rate. Kinetic studies of both coke and CO oxidation suggested an important role of surface lattice oxygen from the catalyst in the two reactions. © 2016 American Institute of Chemical Engineers AIChE J, 63: 725–738, 2017

ChemInform Abstract: Synthesis of 2‐Hydroxy‐3‐alkyl‐2‐phenyl‐2,3‐dihydroquinazolin‐4(1H)‐one via Molybdenum Hexacarbonyl Mediated CO Gas‐ and Ligand Free Carbonylative Reactions.

Carbon monoxide gas and ligand-free conditions were developed for the synthesis of 2-hydroxy-3-alkyl-2-phenyl-2,3-dihydroquinazolin-4(1H)-one via catalytic carbonylation with molybdenum hexacarbonyl as an efficient carbonylating agent for the three-component reaction of isatoic anhydride, amine, iodobenzene. Mo(CO)6 is a solid carbon monoxide source. The quinazolinone synthesis proceeds via a sequential series of reactions such as nucleophilic attack of the amine group on the carbonyl group of isatoic anhydride followed by ring opening, subsequent decarboxylation, carbonylation and heterocyclization.

Observed glacier and volatile distribution on Pluto from atmosphere–topography processes

Pluto has a variety of surface frosts and landforms as well as a complex atmosphere. There is ongoing geological activity related to the massive Sputnik Planitia glacier, mostly made of nitrogen (N2) ice mixed with solid carbon monoxide and methane, covering the 4-kilometre-deep, 1,000-kilometre-wide basin of Sputnik Planitia near the anti-Charon point. The glacier has been suggested to arise from a source region connected to the deep interior, or from a sink collecting the volatiles released planetwide. Thin deposits of N2 frost, however, were also detected at mid-northern latitudes and methane ice was observed to cover most of Pluto except for the darker, frost-free equatorial regions. Here we report numerical simulations of the evolution of N2, methane and carbon monoxide on Pluto over thousands of years. The model predicts N2 ice accumulation in the deepest low-latitude basin and the threefold increase in atmospheric pressure that has been observed to occur since 1988. This points to atmospheric-topographic processes as the origin of Sputnik Planitia's N2 glacier. The same simulations also reproduce the observed quantities of volatiles in the atmosphere and show frosts of methane, and sometimes N2, that seasonally cover the mid- and high latitudes, explaining the bright northern polar cap reported in the 1990s and the observed ice distribution in 2015. The model also predicts that most of these seasonal frosts should disappear in the next decade.

Patients with lung cancer: Are electronic cigarettes harmful or useful?

E-cigarettes remain controversial because the scientific evidence of short term and long term effects on tolerance and the health value of a switch from tobacco to e-cigarettes is contested and controversial. Nevertheless the quality of e-cigarettes and e-liquids has improved. The main ingredients, propylene glycol, vegetable glycerine and nicotine are pharmaceutical-grade quality in most e-liquids. Flavors are almost all food grade. The high quality of ingredients has decreased the presence of impurities in e-liquids.The emissions of e-cigarettes do not contain solid particles or carbon monoxide. Nitrosamine content is at least one hundred times lower than in tobacco smoke. E-cigarette emissions in normal use do not contain any harmful constituents at significant levels except nicotine. UK public health authorities have stated that e-cigarette use is likely to be at least 95% less toxic than cigarette use.There are benefits from having a well-regulated legal market. In countries where e-liquid containing nicotine is not allowed, “do-it-yourself” liquids are common and have handling risks and may sometimes contain toxic impurities. Though e-cigarettes should never be assumed safe products for non-smokers, for smokers, the e-cigarette is at least 20 times less dangerous than the cigarette. Tobacco cessation specialists in countries where nicotine containing e-cigarettes are available increasingly provide counselling for e-cigarette use to stop smoking or to reduce smoking at the request of patients. Based on current knowledge, for patients with lung or other forms of cancer who would otherwise continue to smoke, e-cigarettes offer an alternative way to quit smoking while they undergo medical treatment.

Palladium-catalyzed carbonylation of aryl halides: an efficient, heterogeneous and phosphine-free catalytic system for aminocarbonylation and alkoxycarbonylation employing Mo(CO)6 as a solid carbon monoxide source

Preparation and characterization of palladium nanoparticles immobilized on magnetic methionine-functionalized chitosan as a highly efficient, air stable, and readily reusable heterogeneous catalyst in carbonylation reactions.

ChemInform Abstract: One‐Pot Synthesis of 2‐Arylbenzoxazoles by Gas‐Free Carbonylation Using Dicobalt Octacarbonyl as a Solid Carbon Monoxide Source.

AbstractThe synthesis of various title compounds is performed in a two‐step, one‐pot process and includes a simple water work‐up.

Heat transfer in Ar and N2 doped solid CO

The measurements of thermal conductivity coefficient of a solid carbon monoxide crystal containing argon and nitrogen admixtures at different concentrations (1.5, 3, 6, 12.5, 25% for N2 and 0.5, 1, 1.25, 2, 4% for Ar) were performed in the temperature range from 1.5 to 40 K by steady-state heat flow method. For analysis of the experimental data the Callaway method in the framework of the Debye model was used. The contribution of various mechanisms of phonon scattering, including scattering by disordered dipoles of the CO matrix, to the thermal conductivity of CO–N2 and CO–Ar solid solutions were taken into account.

Solid Electrolyte Type Carbon Monoxide Gas Sensor Combined with CO Oxidizing Catalyst

Solid Electrolyte Type Carbon Monoxide Gas Sensor Combined with CO Oxidizing Catalyst

One‐Pot Synthesis of 2‐Arylbenzoxazoles by Gas‐Free Carbonylation using Dicobalt Octacarbonyl as a Solid Carbon Monoxide Source

AbstractA simple, mild, and facile carbonylation procedure to synthesise 2‐arylbenzoxazole derivatives using dicobalt octacarbonyl [Co2(CO)8] as an in situ carbon monoxide source is described. This method is tolerant of a variety of functional groups and the compounds are obtained in high to excellent yields. Moreover, the reaction is performed in one‐pot with a simple workup procedure. The choice of catalytic system as well as base is important in order to ensure a high yield and chemoselectivity in the reaction. Both electron‐rich and electron‐deficient aryl bromides worked well in this reaction.

Spontaneous electric fields in solid carbon monoxide.

Reflection-absorption infrared spectroscopy (RAIRS) is shown to provide a means of observing the spontelectric phase of matter, the defining characteristic of which is the occurrence of a spontaneous and powerful static electric field within a film of material. The presence of such a field is demonstrated here through the study of longitudinal-transverse optical splitting in RAIR spectra in films of carbon monoxide, based upon the deposition temperature dependence of this splitting. Analysis of spectral data, in terms of the vibrational Stark effect, allows the measurement of the polarization of spontelectric films, showing for example that solid carbon monoxide at 20 K may maintain a spontelectric field of 3.78 × 10(7) V m(-1), representing a polarization of 3.34 × 10(-4) cm(-2). We comment on the astrophysical implications of polarized carbon monoxide ices, on the surface of cosmic grains in star-forming regions.

Mechanism of fluidized chlorination reaction of Kenya natural rutile ore

In this paper, the thermodynamics and kinetics of nature rutile carbochlorination in a fluidized-bed were investigated. The thermodynamic calculations of TiO2–C–Cl2 system show that when C is excess in the solid phase, titanium tetrachloride and carbon monoxide can exist stably. At high temperature, the reaction with CO as the product is the dominant reaction. The appropriate reaction conditions are as follows: reaction temperature of 950 °C, reaction time of 40 min, carbon ratio of 30 wt% of rutile, natural rutile particle size of −96 μm, petroleum coke size of −150 μm, and chlorine flow of 0.036 m3·h−1. Under the above conditions, the reaction conversion rate of TiO2 can reach about 95 %. This paper proposed a reaction rate model, and got a rutile chlorination rate formula, which is generally consistent with the experimental data. For the TiO2–C–Cl2 system, the reaction rate is dependent on the initial radius of rutile particle, density, and the partial pressures of Cl2. From 900 to 1,000 °C, the apparent activation energy is 10.569 kJ·mol−1, and the mass diffusion is found to be the main reaction-controlling step. The expression for the chlorine reaction rate in the C–Cl2 system is obtained, and it depends on the degree of reaction, the partial pressure of Cl2, and the size of rutile particle.

Comparative life cycle environmental assessment of flue gas desulphurization technologies in China

This study is a comparative life cycle assessment (LCA) for two widely used flue gas desulphurization (FGD) technologies in China, namely, the circulating fluidized bed flue gas desulfurization (CFB-FGD) and the wet limestone flue gas desulfurization (WFGD). The present study identifies and quantifies the energy consumptions, resource depletions and environmental impacts of CFB-FGD and WFGD technologies throughout the whole life cycle, including production of desulfurizer, production of FGD system manufacturing materials, transport of FGD system manufacturing materials, manufacturing of FGD system, transport of FGD system and FGD system operation. Life cycle assessment (LCA) methodology provides a quantitative basis for assessing potential improvements in the environmental performance of FGD technologies. The functional unit of the study is 7000 h, the annual operating time of FGD systems. The assessment criteria include five energy consumption categories (electricity, coal, diesel, fuel oil and crude oil), three resource consumption categories (coal, crude oil and water), and six environmental impact categories (global warming, acidification, nutrient enrichment, photochemical ozone formation, bulk waste and slag & ashes). Finally, the total energy consumptions, the resource depletion indexes (RDIs) and the environmental impact loadings (EILs) of FGD technologies were produced for the overall assessment. Overall, the WFGD technology is deemed environmentally benign and energy saving in a relative sense based on the LCA in this study. Concerning environmental impacts, bulk waste is the most critical for both types of FGD technologies. Further observations also help identify some sensitive parameters, including mixed solid waste and carbon monoxide (CO) across the CFB-FGD technology, and mixed solid waste and sulfur dioxide (SO

Carbon Dioxide Decomposition and Oxygen Generation Via SOEC

Oxygen-Deficient Ferrite (ODF) or nickelate-based materials are mixed with YSZ powder via Mechano-Chemical Bonding (MCB) process. The Solid Oxide Electrolyzer Cell (SOEC) with ODF/YSZ or nickelate/YSZ electrodes and YSZ electrolyte is utilized to decompose carbon dioxide (CO2) into solid carbon (C) or carbon monoxide (CO) and generate oxygen (O2) in a continuous process. The cells are tested in a NexTech ProbostateTM apparatus combined with EIS/potentiostate and gas chromatography (GC). In our preliminary tests, CO or solid carbon at cathode side and O2 at anode side were detected, when CO2 was fed to the cathode side and a small potential bias applied across the electrode. Depending on the applied potential, the system is capable of decomposing CO2 into CO or C. Through in-situ EIS and exhaust gas analyses as well as post mortem microstructural analyses using SEM, XRD, and XPS, the capability and efficiency of CO2 decomposition are evaluated. An energy assessment shows that the net energy input in this process is smaller compared to CCS (carbon capture and sequestration).

Biomass fuel exposure and respiratory diseases in India

One half of the world's population relies on biomass fuel as the primary source of domestic energy. Biomass fuel exposure causes a high degree of morbidity and mortality in humans. This is especially true in the context of developing countries, which account for 99% of the world's biomass fuel use. Biomass fuel consists of fire wood, dung cakes, agricultural crop residues such as straw, grass, and shrubs, coal fuels and kerosene. Together, they supply 75% of the domestic energy in India. An estimated three-quarters of Indian households use biomass fuel as the primary means for domestic cooking. Ninety percent of rural households and 32% of urban households cook their meals on a biomass stove. There are wide variations between the rural and urban households regarding the specific type of biomass fuel used. Globally, almost 2 million deaths per year are attributable to solid fuel use, with more than 99% of these occurring in developing countries. Biomass fuel accounts for 5-6% of the national burden of disease. Burning biomass fuels emits toxic fumes into the air that consist of small solid particles, carbon monoxide, polyorganic and polyaromatic hydrocarbons, and formaldehyde. Exposure to biomass fuels has been found to be associated with many respiratory diseases such as acute lower respiratory infections, chronic obstructive pulmonary disease, lung cancer, pulmonary tuberculosis, and asthma. Biomass fuel exposure is closely related to the burden of disease in India. Hopes are that future studies will examine the morbidity associated with biomass exposure and seek to prevent it. Concerted efforts to improve stove design and transition to high-efficiency low-emission fuels may reduce respiratory disease associated with biomass fuel exposure.

Controlling the Bonding and Band Gaps of Solid Carbon Monoxide with Pressure

We use a combination of a searching method and first-principles electronic structure calculations to predict novel structures of carbon monoxide (CO) which are energetically more stable than the known structures. The most stable forms of CO at zero pressure consist of metallic polycarbonyl chains with single and double bonds, rather than the familiar triply bonded insulating CO molecules. At pressures >2 GPa the most stable phases are semiconducting and insulating singly bonded three-dimensional framework and layered structures. We also find a molecular Pbcm structure which is more stable than the R3c structure proposed previously for the observed ϵ phase.

Lattice phonons of solid phases (α,β,δ,ε) of carbon monoxide by optical studies

The phase diagram of solid carbon monoxide was investigated in the pressure range 0–10GPa and temperature range 30–300K by infrared and Raman spectroscopy. The tentative phase diagram known from the literature was expanded and specified in detail. The δ-phase region is divided into two subphases—δrot and δloc—similar to solid nitrogen. The pressure-temperature behavior of the elementary and combined excitations was also followed up. The vibron overtone region was carefully investigated by FTIR spectroscopy as a function of temperature at different pressures; the fundamental region was investigated by Raman spectroscopy. The features of the IR-active phonon sideband to the vibron overtone were investigated in detail in the entire pressure-temperature region. The lattice-phonon spectra were studied by Raman spectroscopy as a function of pressure (at lowest temperature) and by IR spectroscopy as a function of temperature at saturated vapor pressure.

Microwave-assisted, palladium-catalyzed carbonylative cyclization — Rapid synthesis of 2-quinolones from unprotected 2-iodoanilines and terminal alkynes

Palladium-catalyzed cyclocarbonylations of 2-iodoanilines with various terminal alkynes have been carried out by the use of commercially available molybdenum hexacarbonyl as a convenient and solid carbon monoxide source. The reactions were conducted at 160 °C for 30 min under microwave irradiation and in the presence of Et3N in THF, affording the corresponding 2-quinolone derivatives in good regioselectivities and yields.

Rotation of Methyl Radicals in Molecular Solids

Electron spin resonance (ESR) measurements were carried out to study the rotation of methyl radicals (CH(3)) in solid carbon monoxide, carbon dioxide, and nitrogen matrices. The radicals were produced by dissociating methane by plasma bursts generated by a focused 193 nm ArF excimer laser radiation during the gas condensation on the substrate. The ESR spectra exhibit anisotropic features that persist over the temperature range examined, and in most cases this indicates a restriction of rotation about the C(2) symmetry axis. A nonrotating CH(3) was also observed in a CO(2) matrix. The intensity ratio between the symmetric (A) and antisymmetric (E) nuclear spin states was recorded as a function of temperature for each molecular matrix. The rotational energy levels are modified from their gas phase structure with increasing crystal field strength. An anomalous situation was observed where the A/E ratio extended below the high temperature limit of 1/2.