Search results for "Gas phase"
showing 10 items of 64 documents
Biomimetic oxidation of pyrene and related aromatic hydrocarbons. Unexpected electron accepting abilities of pyrenequinones
2014
We present a mild catalytic method to oxidize PAHs and, in particular, pyrene. The pyrenediones are much better electron acceptors than benzoquinone in the gas phase and present similar accepting abilities in solution.
Gas phase synthesis of 4d transition metal carbonyl complexes with thermalized fission fragments in single-atom reactions
2021
Abstract The formation of carbonyl complexes using atom-at-a-time quantities of short-lived transition metals from fusion and fission reactions was reported in 2012. Numerous studies focussing on this chemical system, which is also applicable for the superheavy elements followed. We report on a novel two-chamber approach for the synthesis of such complexes that allows spatial decoupling of thermalization and gas-phase carbonyl complex synthesis. Neutron induced fission on 235U and spontaneous fission of 248Cm were employed for the production of the fission products. These were stopped inside a gas volume behind the target and flushed with an inert-gas flow into a second chamber. This was fl…
Gas-phase supersaturation effects on morphology properties of ZnO nano and microstructures grown by PVT
2016
A systematic study of the morphology evolution of ZnO nanostructures grown by physical vapour transport was carried out. The evolution of the shape with the growth time is shown to depend on the different gas-phase supersaturation and temperature conditions encountered in the crystallization zone of the tube furnace. The observed morphology transitions are discussed, and a growth model for ZnO nanostructures is given.
Bis(dichlorosilyl)methylamine - Synthesis, Crystal Structure, and Conformational Analysis in the Gas Phase
1999
A straightforward preparation has been found for bis(dichlorosilyl)methylamine, (SiHCl2)2NMe (1), involving reaction between H2NMe and an excess of SiHCl3, dissolved either in pentane or THF at 253 K. 1 and a side-product, 1,3,5-trichloro-2,4,6-trimethylcyclotrisilazane, (–SiHCl–NMe–)3 (2), were identified by elemental analysis, mass spectrometry and 1H-NMR-spectroscopy. Some physical, NMR- and IR spectroscopical properties of 1 were determined. The molecular and crystal structure of 1 was investigated by single crystal X-ray diffraction. Selected structural parameters: r(Si–N) 169.7(5), r(Si–Cl) 203.1(2)–204.4(2), r(C–N) 150.0(8) pm; a(SiNSi) 123.6(3), a(SiNC) 118.3(4)/118.0(4)°. Ab initio…
A Grand Canonical Monte Carlo Study of the N2, CO, and Mixed N2–CO Clathrate Hydrates
2018
In this paper we report the use of Grand Canonical Monte Carlo (GCMC) simulations to characterize the competitive trapping of CO and N2 molecules into clathrates, for various gas compositions in the temperature range from 50 to 150 K. The simulations evidence a preferential trapping of CO with respect to N2. This leads to the formation of clathrates that are preferentially filled with CO at equilibrium, irrespective of the composition of the gas phase, the fugacity, and the temperature. Moreover, the results of the simulations show that the small cages of the clathrate structure are always filled first, independent of either the guest structure or the temperature. This issue has been associ…
A New Environmentally-Friendly Colorimetric Probe for Formaldehyde Gas Detection under Real Conditions
2018
[EN] A new environmentally-friendly, simple, selective and sensitive probe for detecting formaldehyde, based on naturally-occurring compounds, through either colorimetric or fluorescence changes, is described. The probe is able to detect formaldehyde in both solution and the gas phase with limits of detection of 0.24 mM and 0.7 ppm, respectively. The probe has been tested to study formaldehyde emission in contaminated real atmospheres. The supported probe is easy to use and to dispose, and is safe and suitable as an individual chemodosimeter.
Adsorption of CO and N 2 molecules at the surface of solid water. A grand canonical Monte Carlo study
2020
International audience; The adsorption of carbon monoxide and nitrogen molecules at the surface of four forms of solid water is investigated by means of grand canonical Monte Carlo simulations. The trapping ability of crystalline Ih and low-density amorphous ices, along with clathrate hy-drates of structures I and II, are compared at temperatures relevant for astrophysics. It is shown that, when considering a gas phase that contains mixtures of carbon monoxide and nitrogen, the trapping of carbon monoxide is favored with respect to that of nitrogen at the surface of all solids, irrespective of the temperature. The results of the calculations also indicate that some amounts of molecules can …
Gas-Phase Photolysis of Hg(I) Radical Species: A New Atmospheric Mercury Reduction Process
2019
The efficient gas-phase photoreduction of Hg(II) has recently been shown to change mercury cycling significantly in the atmosphere and its deposition to the Earth's surface. However, the photolysis of key Hg(I) species within that cycle is currently not considered. Here we present ultraviolet-visible absorption spectra and cross-sections of HgCl, HgBr, HgI, and HgOH radicals, computed by high-level quantum-chemical methods, and show for the first time that gas-phase Hg(I) photoreduction can occur at time scales that eventually would influence the mercury chemistry in the atmosphere. These results provide new fundamental understanding of the photobehavior of Hg(I) radicals and show that the …
Chemical and electrochemical behaviour of 4,4’,4’’,4’’’-tetrakis(dimethylamino)-tetraphenylethylene in an oxidant environment: Toward a new sensor fo…
2020
Abstract Electrochromic compounds are suitable candidates for being used in sensor design. Here we report the use of 4,4’,4’’,4’’’-tetrakis(dimethylamino)-tetraphenylethylene for detecting both NO2 and SO2. Whereas the sensing mechanism in the case of nitrogen dioxide is a simple chemical oxidation reaction, in the case of sulfur dioxide, the mechanism is much more complex and the reaction requires the presence of t-butylhydroperoxide to take place. By modifying the detection conditions both compounds can be detected in gas phase. Additionally, a wide electrochemical study has been carried out to understand the role played by the t-butylhydroperoxide in the reaction with sulfur dioxide.
Single-electron self-exchange between cage hydrocarbons and their radical cations in the gas phase.
2010
We show that the radical cations of adamantane (C(10)H(16)(*+), 1H(*+)) and perdeuteroadamantane (C(10)D(16)(*+), 1D(*+)) are stable species in the gas phase. The radical cation of adamantylideneadamantane (C(20)H(28)(*+), 2H(*+)) is also stable (as in solution). By using the natural (13)C abundances of the ions, we determine the rate constants for the reversible isergonic single-electron transfer (SET) processes involving the dyads 1H(*+)/1H, 1D(*+)/1D and 2H(*+)/2H. Rate constants for the reaction 1H(*+)+1D 1H+1D(*+) are also determined and Marcus' cross-term equation is shown to hold in this case. The rate constants for the isergonic processes are extremely high, practically collision-co…