A theoretical study of the low-lying excited states and the photophysics of dimethoxy curcumin in cyclohexane and acetonitrile
Sign Up to like & getrecommendations! Published in 2017 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-017-2108-9
Abstract: Two important aspects of the photophysics of dimethoxy curcumin in solvents are theoretically analysed. First, the large Stokes shift in cyclohexane and in acetonitrile is calculated using time-dependent density functional theory with large basis set.… read more here.
Keywords: cyclohexane acetonitrile; dimethoxy curcumin; low lying; photophysics dimethoxy ... See more keywords
Density functional theory study of selective aerobic oxidation of cyclohexane: the roles of acetic acid and cobalt ion
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-019-3949-z
Abstract: AbstractA computational study of cyclohexane autoxidation and catalytic oxidation to a cyclohexyl hydroperoxide intermediate (CyOOH), cyclohexanol, and cyclohexanone has been conducted using a hybrid density functional theory method. The activation of cyclohexane and O2 is… read more here.
Keywords: density functional; oxidation; kcal mol; study ... See more keywords
Oxalic acid-improved mild cyclohexane oxidation catalyzed by VO(acac)2: non-radical versus radical mechanism
Sign Up to like & getrecommendations! Published in 2017 at "Reaction Kinetics, Mechanisms and Catalysis"
DOI: 10.1007/s11144-017-1274-z
Abstract: The efficiency of the vanadyl(IV)acetylacetonate (1)–catalyzed oxidation of cyclohexane by hydrogen peroxide in acetonitrile increased in the presence of oxalic acid (2). The addition of 2 leads to the substitution of acac ligands by oxalate… read more here.
Keywords: mechanism; oxidation; oxalic acid; cyclohexane ... See more keywords
Mechanisms of the formation of carboxylic acids and their anhydrides during the liquid-phase oxidation of cyclohexane
Sign Up to like & getrecommendations! Published in 2019 at "Russian Chemical Bulletin"
DOI: 10.1007/s11172-019-2582-4
Abstract: The channels of formation and transformation of bifunctional (C5, C6) and monofunctional acids (C1, C5, C6) and their anhydrides during the liquid-phase oxidation of cyclohexane are reviewed. Adipic acid and adipic anhydride are predominantly formed… read more here.
Keywords: anhydrides liquid; oxidation; liquid phase; phase oxidation ... See more keywords
New copper(II) salicylaldimine derivatives for mild oxidation of cyclohexane
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Chemical Sciences"
DOI: 10.1007/s12039-018-1455-y
Abstract: Two new salicylaldiminato-copper(II) complexes, [$$\hbox {Cu}(\mathbf{L}^{\mathbf{1}})_{2}$$Cu(L1)2] (1) and [$$\hbox {Cu}(\mathbf{L}^{\mathbf{2}})_{2}$$Cu(L2)2] (2) (where $$\mathbf{HL}^{\mathbf{1}}=4$$HL1=4-tert-Butyl-2-[(thiophen-2-ylmethylimino)-methyl]-phenol and $$\mathbf{HL}^{2} = 2,4$$HL2=2,4-Di-tert-butyl-6-[(thiophen-2-ylmethylimino)-methyl]-phenol), endowed with a pendant thiophenyl moiety, were synthesized and characterized using standard spectroscopic techniques (FT-IR, UV-Vis, MS) and… read more here.
Keywords: oxidation; copper; mathbf; hbox ... See more keywords
Fluxional nature in cyclohexane and cyclopentane: spherical conformational landscape model revisited
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DOI: 10.1007/s12039-019-1701-y
Abstract: Spherical conformational landscape model was revisited to include yet another class of cyclic compounds; the derivatives of cyclohexane. The updated model is not only capable of explaining Raman spectral features in fluxional cyclopentane but is… read more here.
Keywords: spherical conformational; cyclopentane; conformational landscape; landscape model ... See more keywords
Ultrastable bimetallic catalyst with tuned surface electronic properties for highly selective oxidation of cyclohexane
Sign Up to like & getrecommendations! Published in 2018 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2018.06.300
Abstract: Abstract Well-dispersed Au-Pt (2–5 nm) and Au-Pd (1–5 nm) nanoparticles (NPs) supported on mesoporous silica (meso-SiO2) were prepared by a facile one-pot synthesis method using 3-mercapto(propyl)trimethoxysilane (MPTMS) to anchor metal NPs to the support. The obtained catalysts… read more here.
Keywords: ultrastable bimetallic; oxidation; catalyst tuned; surface ... See more keywords
The role of nanoporous carbon materials in catalytic cyclohexane oxidation
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DOI: 10.1016/j.cattod.2019.07.036
Abstract: Abstract The C-scorpionate iron(II) complex [FeCl2(Tpm)] [Tpm = κ3−HC(C3H3N2)3] was immobilized on three nanoporous carbon supports to produce active, selective and recyclable catalysts for the oxidation of cyclohexane. The influence of the porous carbon supports… read more here.
Keywords: cyclohexane oxidation; cyclohexane; nanoporous carbon; carbon materials ... See more keywords
Catalytic oxidation of cyclohexane using transition metal complexes of dithiocarbazate Schiff base
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DOI: 10.1016/j.cej.2017.06.116
Abstract: Abstract Metal complexes of dithiocarbazate Schiff bases (abbreviated as NiSMdiAP, CoSMdiAP, FeSMdiAP, MnSMdiAP and ZnSMdiAP, where SMdiAP represents the Schiff base) were synthesized and characterized using techniques including Fourier transform infrared spectroscopy, nuclear magnetic resonance,… read more here.
Keywords: oxidation; base; metal complexes; cyclohexane ... See more keywords
Transport and removal of a solvent in porous media in the presence of bitumen, a highly viscous solute
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DOI: 10.1016/j.ces.2017.03.006
Abstract: Abstract Removal of solvent from the gangue generated by an oil sands solvent extraction process is essentially a process of solution transport in a porous medium with a highly viscous solute (left over bitumen of… read more here.
Keywords: residual bitumen; removal; transport; solvent ... See more keywords
Efficient and selective photocatalytic oxidation of cyclohexane using O2 as oxidant in VOCl2 solution and mechanism insight
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Engineering Science"
DOI: 10.1016/j.ces.2019.03.079
Abstract: Abstract The efficient selective oxidation of cyclohexane to cyclohexanone and cyclohexanol (KA-oil) under mild conditions remains one of the most challenging and interesting projects in catalytic chemistry. Here, photocatalytic oxidation of cyclohexane was carried out… read more here.
Keywords: photocatalytic oxidation; cyclohexane; oxidation; efficient selective ... See more keywords