Comparison of halide donators based on pi···M (M = Cu, Ag, Au), pi···H and pi···halogen bonds
Sign Up to like & getrecommendations! Published in 2018 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-018-2390-1
Abstract: AbstractThe interactions in π/aromatic π/pseudo-π type complexes of C2H4/C2H2/C6H6/(CH2)3···MX (M = Cu, Ag, Au; X = F, Cl, Br, I) were researched by theoretical calculation at the wB97XD/aug-cc-pVTZ level and compared with the isomorphous C2H4/C2H2/C6H6/(CH2)3···HX/YX (X = F, Cl, Br; Y = Cl,… read more here.
Keywords: c6h6; c6h6 ch2; aromatic pseudo; c2h4 c2h2 ... See more keywords
Catalytic Removal of Benzene at Mild Temperature over Manganese Oxide Catalysts
Sign Up to like & getrecommendations! Published in 2019 at "Catalysis Surveys from Asia"
DOI: 10.1007/s10563-019-09268-2
Abstract: Series of MnOx catalysts were synthesized through oxalate route and calcined at facile temperatures. Characterizations through XRD, N2-adsorption/desorption, HRTEM, C6H6-TPD, O2-TPD, XPS, and H2-TPR revealed that MnOx calcined at 250 °C (N250) with a main crystal… read more here.
Keywords: temperature; benzene mild; mild temperature; c6h6 ... See more keywords
Efficient removal of benzene in air at atmospheric pressure using a side-on type 172 nm Xe2 excimer lamp
Sign Up to like & getrecommendations! Published in 2018 at "Environmental Science and Pollution Research"
DOI: 10.1007/s11356-018-2103-2
Abstract: The photochemical removal of benzene was studied in air at atmospheric pressure using a side-on type 172 nm Xe2 excimer lamp with a wide irradiation area. After 1.5 min photoirradiation, C6H6 (1000 ppm) in air was completely converted… read more here.
Keywords: c6h6; removal; removal benzene; air atmospheric ... See more keywords
Infrared spectra of Rg1,2-C6H6 complexes, Rg = He, Ne, Ar
Sign Up to like & getrecommendations! Published in 2018 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2018.10.012
Abstract: Abstract Infrared spectra of Rg1,2 - C6H6 complexes (Rg = He, Ne, Ar) are observed in the region of the ν12 fundamental of C6H6 using a pulsed supersonic jet expansion and a tunable optical parametric oscillator laser… read more here.
Keywords: c6h6; c6h6 complexes; rg1 c6h6; infrared spectra ... See more keywords
Photo-catalytic degradation of mixed gaseous HCHO and C6H6 in paper mills: Experimental and theoretical study on the adsorption behavior simulation and catalytic reaction mechanism.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of hazardous materials"
DOI: 10.1016/j.jhazmat.2019.121779
Abstract: VOCs in paper mills have severely exceeded the emission standards and their photo-catalytic degradations should focus on the experimental and theoretical studies. This work used TiO2 colloid as catalyst to study the photo-catalytic degradations of… read more here.
Keywords: degradation; adsorption; c6h6; catalytic reaction ... See more keywords
Watching Hydrogens Migrate: Step by Step from [ReI(η6-C6H6)2]+ to [ReIII(η3-C6H9)(η6-C6H6)(NCCH3)2]2.
Sign Up to like & getrecommendations! Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.1c03811
Abstract: Arene substitution reactions in [M(η6-arene)2]0/2+ are well documented for Groups 6 and 8 but are essentially unknown for the manganese triad. Aiming to replace benzene in [ReI(η6-C6H6)2]+, we altered the hapticity of one coordinated benzene,… read more here.
Keywords: chemistry; c6h6; c6h6 ncch3; reiii c6h9 ... See more keywords
Exploring Rhenium Arene Piano-Stool Chemistry with [Re(η6-C6H6)(NCCH3)3]+: A Powerful Semi-Solvated Precursor
Sign Up to like & getrecommendations! Published in 2023 at "Inorganic Chemistry"
DOI: 10.1021/acs.inorgchem.2c04346
Abstract: Thermal treatment of the ReIII hydride complex [ReH(η5-C6H7)(η6-C6H6)]+ in CH3CN results in the formation of [Re(η6-C6H6)(NCCH3)3]+. This semi-solvated complex is remarkably stable under an ambient atmosphere and exhibits a fast CH3CN self-exchange, which facilitates substitution… read more here.
Keywords: c6h6 ncch3; exploring rhenium; chemistry; c6h6 ... See more keywords
An experimental and theoretical investigation of the N(2D) + C6H6 (benzene) reaction with implications for the photochemical models of Titan
Sign Up to like & getrecommendations! Published in 2023 at "Faraday Discussions"
DOI: 10.1039/d3fd00057e
Abstract: We report on a combined experimental and theoretical investigation of the N(2D) + C6H6 (benzene) reaction, which is of relevance in the aromatic chemistry of the atmosphere of Titan. Experimentally, the reaction was studied (i)… read more here.
Keywords: c6h6 benzene; investigation c6h6; experimental theoretical; reaction ... See more keywords
Geometric distortion and spin-dependent electronic structure of C6H6-adsorbed Fe3O4(001): A first-principles study
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Applied Physics"
DOI: 10.1063/1.4973686
Abstract: The electronic structure of C6H6/Fe3O4(001) interfaces has been investigated by the density functional theory. It is found that a weaker interaction exists between C6H6 and Fe3O4(001) in the adsorption models by comparing with the previous… read more here.
Keywords: c6h6; electronic structure; spin; structure c6h6 ... See more keywords