Neutron powder-profile study of chlorofluoromethane.
The crystal structure of chlorofluoromethane, CH(2)ClF, has been determined at 100 and 30 K using indexing, packing considerations and Rietveld refinement of neutron powder profiles. There is only one phase, in monoclinic space group P2(1) and with two molecules in the unit cell occupying general positions. The structure has close packing in several directions and there are weak hydrogen bonds forming zigzag chains.
The Adsorption of Chlorofluoromethane on Pristine, Al‐, Ga‐, P‐, and As‐doped Boron Nitride Nanotubes: A PBC‐DFT, NBO, and QTAIM Study
The feasibility of detecting a Chlorofluoromethane (CFM) gas molecule on the outer surface of a pristine single-walled boron nitride nanotube as well as Al-, Ga-, P-, and As-doped structures. A periodic boundary condition (PBC), within a density functional theory (DFT) method, using the Perdew, Burke, and Ernzerhof exchange-correlation (PBE0) functional, together with a 6-311G(d) basis set was used. Subsequently, the B3LYP, CAM B3LYP, ωB97XD, and M06-2X functionals were also employed to consider the single point energies. Natural bond orbital (NBO) and quantum theory of atoms in molecules (QTAIM) were implemented by using the PBE0/6-311G(d). To explore the nature of the intermolecular interactions, density of state (DOS), Wiberg bond index (WBI), natural charge, natural electron configuration, donor–acceptor natural bond orbital interactions, the second-order perturbation energies tests, and noncovalent interaction (NCI) analysis are performed. The sensitivity of the adsorption will be increased when the gas molecule interacts with decorated nanotubes; therefore, the change of electronic properties can be used to design suitable nanosensors.
Comparative odor control performance of activated carbon and permanganated alumina
Abstract Activated carbon and permanganated alumina were compared with regard to their effectiveness in reducing the odor levels of air streams containing olefin. ester, aldehyde, ketone, amine, sulfide, mercaptan, decomposed crustacean shell vapor, or state tobacco vapor. In all cases, the odor-reducing effect of the activated carbon was much faster than that of the permanganated alumina. For the odors of stale tobacco and decomposed crustacean shells, the permanganated alumina, after it was reduced to MnO2, gave evidence of prolonged partial odor reduction, probably by serving as a catalyst for oxidation by air.