C4H4 radical cation isomers: Generation, structure, stability, and isomerization reactions
Sign Up to like & getrecommendations! Published in 2017 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2017.06.013
Abstract: Abstract The B3LYP, M06-2X and MP2 methods are used to study the generation, relative stability, structure, charge and spin distributions, along with isomerization reactions, of C 4 H 4 + radical cations in gas phase.… read more here.
Keywords: radical cation; generation; isomerization reactions; structure ... See more keywords
First radical cation salts based on dibenzotetrathiafulvalene (DBTTF) with metallacarborane anions: Synthesis, structure, properties
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Organometallic Chemistry"
DOI: 10.1016/j.jorganchem.2020.121592
Abstract: Abstract The new radical cation salts based on transition metal bis(dicarbollides) with dibenzotetrathiafulvalene (DBTTF) donors (DBTTF)[3,3′-Fe(1,2-C2B9H11)2] (1) and (DBTTF)2[3,3′-Cr(1,2-C2B9H11)2] (2) were synthesized and their crystal structures were determined by single crystal X-ray diffractions. The electric… read more here.
Keywords: cation salts; dbttf c2b9h11; dibenzotetrathiafulvalene dbttf; radical cation ... See more keywords
Pyrene radical cation and the diffuse interstellar band at 4430 Å: A theoretical survey
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2019.04.067
Abstract: Abstract Multistate and multimode vibronic dynamics on the first six coupled ( X ˜ 2 B 1 g - A ˜ 2 B 2 g - B ˜ 2 B 3 u - C ˜… read more here.
Keywords: electronic states; time; radical cation; cation diffuse ... See more keywords
Condensed Phenoxazine Dimer and Its Radical Cation.
Sign Up to like & getrecommendations! Published in 2020 at "Organic letters"
DOI: 10.1021/acs.orglett.0c02305
Abstract: A condensed phenoxazine dimer was synthesized and characterized. X-ray crystallographic analysis of the dimer shows a double-butterfly structure, in which the nitrogen atoms are located above and below the molecular plane. A radical cation salt… read more here.
Keywords: cation; radical cation; dimer; phenoxazine dimer ... See more keywords
Radical Cation Diels-Alder Reactions by TiO2 Photocatalysis.
Sign Up to like & getrecommendations! Published in 2019 at "Organic letters"
DOI: 10.1021/acs.orglett.9b00526
Abstract: Radical cation Diels-Alder reactions by titanium dioxide (TiO2) photocatalysis in lithium perchlorate/nitromethane solution are described. TiO2 photocatalysis promotes reactions between electron-rich dienes and dienophiles, which would otherwise be difficult to accomplish due to electronic mismatching.… read more here.
Keywords: tio2 photocatalysis; cation diels; diels alder; radical cation ... See more keywords
Stable Radical Cation and Dication of a 1,4-Disilabenzene.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.0c12908
Abstract: The reaction of (LSi:)2 (1; L = PhC(NtBu)2) with 2 equiv of Me3SiC2C2SiMe3 resulted in the formation of (Me3SiC2)2(Me3Si)2C4Si2(L)2 (2). 2 exhibited a one-electron transfer when treated with 1 equiv of [Ph3C]+[B(C6F5)4]- to yield [(Me3SiC2)2(Me3Si)2C4Si2(L)2]·+[B(C6F5)4]-… read more here.
Keywords: me3si 2c4si2; radical cation; me3sic2 me3si; cation dication ... See more keywords
Water-Assisted Proton Transfer in the Sequential Hydration of Benzonitrile Radical Cation C6H5CN•+(H2O)n: Transition to Hydrated Distonic Cation •C6H4CNH+(H2O)n with n ≥ 4.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c01143
Abstract: The stepwise hydration of the benzonitrile•+ radical cation with one-seven H2O molecules was investigated experimentally and computationally with density functional theory in C6H5CN•+(H2O)n clusters. The stepwise binding energies (ΔHn-1,n°) were determined by equilibrium measurements for… read more here.
Keywords: c6h5cn h2o; h2o; c6h4cnh h2o; radical cation ... See more keywords
A Long-Lived Water-Soluble Phenazine Radical Cation.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c12683
Abstract: Long-lived water-soluble organic radical species have long been desired for applications in bioimaging and aqueous energy storage technologies. In the present work, we report a phenazine radical cation sodium 3,3'-(phenazine-5,10-diyl)bis(propane-1-sulfonate) (PSPR) with a high solubility… read more here.
Keywords: lived water; water; long lived; radical cation ... See more keywords
Unraveling the Structure and Reactivity Patterns of the Indole Radical Cation in Regioselective Electrochemical Oxidative Annulations.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c12902
Abstract: Oxidation-induced strategy for inert chemical bond activation through highly active radical cation intermediate has exhibited unique reactivity. Understanding the structure and reactivity patterns of radical cation intermediates is crucial in the mechanistic study and will… read more here.
Keywords: indole radical; radical cation; structure reactivity;
Triarylaminium Radical Cation Promoted Coupling of Catharanthine with Vindoline: Diastereospecific Synthesis of Anhydrovinblastine and Reaction Scope.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.9b06968
Abstract: A new triarylaminium radical cation promoted coupling of catharanthine with vindoline is disclosed, enlisting tris(4-bromophenyl)aminium hexachlororantimonate (BAHA, 1.1 equiv) in aqueous 0.05 N HCl/trifluoroethanol (2-10:1) at room temperature (25 °C), that provides anhydrovinblastine in superb… read more here.
Keywords: triarylaminium radical; catharanthine vindoline; radical cation; reaction ... See more keywords
Preparation, Spectroscopic Characterization and Theoretical Study of a Three-Dimensional Conjugated 70 π-Electron Thiophene 6-mer Radical Cation π-Dimer.
Sign Up to like & getrecommendations! Published in 2020 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.9b13573
Abstract: A radical cation, generated from an extended π-conjugated thiophene 6-mer composed of four ethynylene-thienylene and two vinylene-thienylene units, was observed to form a stable three-dimensional π-dimer containing 70 π-electrons. The π-dimer prepared in solution was… read more here.
Keywords: three dimensional; radical cation; dimer; spectroscopy ... See more keywords