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triangulo-Trirhenium nonaiodide Re3I9 reacts with 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene (IMes) to produce the novel 13-electron paramagnetic cluster Re3I8(IMes)2, which was characterized by means of X-ray diffraction analysis,... more
triangulo-Trirhenium nonaiodide Re3I9 reacts with 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene (IMes) to produce the novel 13-electron paramagnetic cluster Re3I8(IMes)2, which was characterized by means of X-ray diffraction analysis, ESR spectroscopy, magnetometry, and quantum chemistry.
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A new electron acceptor is synthesized and reduced into its radical-anion isolated in the form of two salts with different structures and magnetic properties.
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ABSTRACT The photolysis of 1-aryloxy-2-azidoanthraquinones (3) in benzene is described herein which gave 1-hydroxy-2-arylaminoanthraquinones (4) and two types of 5H-naphtho[2,3-c]phenoxazine-8,13-diones (5 and 6). Thermolysis of 3 yielded... more
ABSTRACT The photolysis of 1-aryloxy-2-azidoanthraquinones (3) in benzene is described herein which gave 1-hydroxy-2-arylaminoanthraquinones (4) and two types of 5H-naphtho[2,3-c]phenoxazine-8,13-diones (5 and 6). Thermolysis of 3 yielded only one of phenoxazines 5 and small amount of 4. On the other hand thermolysis of 3 in the presence of phenols gave phenoxazine 6 as a major product. The mechanism of the photolysis and thermolysis of 2-azido-1-aryloxyanthraquinones (3) is proposed and supported by the results from semiempirical calculations. A relative contribution of the primary photoreactions-azido group dissociation and aryl group migration was estimated to be 3:1. Photolysis and thermolysis of 4-azido-1-(p-tert-butylphenoxy)-9,10-anthraquinone (8) gave 3-(p-tert-butylphenoxy)-anthra[1,9-cd]-izoxazole-6-one (9) as the only product.
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A long-lived π-heterocyclic radical anion of the hybrid 1,2,5-thiadiazolidyl / 1,2,3-dithiazolidyl type was electrochemically generated and characterized by EPR spectroscopy and DFT calculations.
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ABSTRACT ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select... more
ABSTRACT ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
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The photochemistry of S4N4 with a highly symmetric cage structure is studied by laser flash photolysis and B3LYP quantum chemical computations.
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ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full... more
ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
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With halides X− (X = Cl, Br, I) 5,6-dicyano-[1,2,5]selenadiazolo[3,4-b]pyrazine 1 forms chalcogen-bonded complexes [1–X]− structurally defined by XRD. UV/Vis spectra of [1–X]− feature red-shifted charge-transfer bands in the Vis part.
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Research Interests: Chemistry, Free Radicals, Photochemistry, Quantum Theory, Medicine, and 11 moreMatrix Isolation, Computer Simulation, Lasers, Fourier transform infrared spectroscopy, Radical, Photolysis, THEORETICAL AND COMPUTATIONAL CHEMISTRY, Sensitivity and Specificity, Argon, Photodissociation, and Molecular Structure
Research Interests: Chemistry, Computational Chemistry, Photochemistry, Quantum Theory, Matrix Isolation, and 12 moreComputer Simulation, Physical sciences, CHEMICAL SCIENCES, Oxygen, Wave Function, Photolysis, Argon, Molecular Structure, aniline Compounds, Physical chemistry and chemical physics, Ultraviolet Rays, and Azo compounds
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An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely... more
An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Related Article: E.A.Suturina, N.A.Semenov, A.V.Lonchakov, I.Yu.Bagryanskaya, Y.V.Gatilov, I.G.Irtegova, N.V.Vasilieva, E.Lork, R.Mews, N.P.Gritsan, A.V.Zibarev|2011|J.Phys.Chem.A|115|4851|doi:10.1021/jp2019523
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Thermally stable organic diradicals with a triplet ground state along with large singlet‐triplet energy gap have significant potential for advanced technological applications. A series of phenylene‐bridged diradicals with oxoverdazyl and... more
Thermally stable organic diradicals with a triplet ground state along with large singlet‐triplet energy gap have significant potential for advanced technological applications. A series of phenylene‐bridged diradicals with oxoverdazyl and nitronyl nitroxide units were synthesized via a palladium‐catalyzed cross‐coupling reaction of iodoverdazyls with a nitronyl nitroxide‐2‐ide gold(I) complex with high yields. The diradicals exhibit high stability and do not decompose in an inert atmosphere up to 180 °C. For the diradicals, both substantial AF (ΔEST≈−64 cm−1) and FM (ΔEST≥25 and 100 cm−1) intramolecular exchange interactions were observed. The sign of the exchange interaction is determined both by the bridging moiety (para‐ or meta‐phenylene) and by the type of oxoverdazyl block (C‐linked or N‐linked). Upon crystallization, diradicals with the triplet ground state form unique one‐dimensional exchange‐coupled chains with strong intra‐ and weak inter‐diradical ferromagnetic coupling.
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The title species is a trimeric dianion with a singlet ground state, as shown for its [K(18-crown-6)(THF)]+salt.
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ABSTRACT p-Nitro- and p-nitrosoaniline (III and IV) are the main products of p-azidoaniline (I) photolysis in the presence of oxygen in aprotic solvents, and in CO2 and xenon liquefied at high pressure. In non-polar solvents the formation... more
ABSTRACT p-Nitro- and p-nitrosoaniline (III and IV) are the main products of p-azidoaniline (I) photolysis in the presence of oxygen in aprotic solvents, and in CO2 and xenon liquefied at high pressure. In non-polar solvents the formation of III prevails; in solvents with high polarity or polarizability, the formation of IV prevails. Investigations by the methods of stationary low temperature and flash photolysis have shown that p-aminophenylnitrene resulting in a triplet state (II) from the primary processes reacts with oxygen, yielding p-aminophenylnitroso oxide (V). The rate constant of this reaction at 285 K is (8 ± 2) × 106 M−1 s−1 in toluene and (4.5 ± 1.2) × 106 M−1 s−1 in hexane. Further, V undergoes dimerization producing dimeric p-nitrosoaniline peroxide (VI). The rate constant of dimerization of 285 K is (1.4 ± 0.4) × 109 M−1 s−1 in toluene and (0.7 ± 0.2) × 1010 M−1 s−1 in hexane. The dimeric peroxide (VI) decomposing in two channels yields either two molecules of III or two molecules of IV and one molecule of O2.The spectral characteristics of the intermediates (II, V and VI) of p-azidoaniline photolysis in the presence of O2 are determined. The low temperature photochemical reactions of cis-trans isomerization of V and its phototransformation into the final products of III and IV are found to occur. Irradiation of dimeric peroxide VI also leads to the formation of III and IV.
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Solvent radical cations (RCs) are the primary positive charge carriers that emerge upon ionizing irradiation of alkane solutions. Conductivity measurements of irradiated alkanes show that the rate and mechanism of solvent RC (hole)... more
Solvent radical cations (RCs) are the primary positive charge carriers that emerge upon ionizing irradiation of alkane solutions. Conductivity measurements of irradiated alkanes show that the rate and mechanism of solvent RC (hole) transport can differ radically in different types of alkanes [1, 2]. For example, the solvent RC mobility in cyclohexane is two orders of magnitude higher than the mobility of molecular ions. Such a high mobility is associated with fast degenerate electron exchange (DEE) between the solvent molecules and the holes:
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This paper describes the stepwise aza‐Wittig reaction of 1,1′‐bis(triphenylphosphoranylidenamino)‐ferrocene with a paramagnetic isocyanate, namely, 3‐isocyanato‐2,2,5,5‐tetramethyl‐2,5‐dihydro‐1H‐pyrrole‐1‐oxyl, and then with substituted... more
This paper describes the stepwise aza‐Wittig reaction of 1,1′‐bis(triphenylphosphoranylidenamino)‐ferrocene with a paramagnetic isocyanate, namely, 3‐isocyanato‐2,2,5,5‐tetramethyl‐2,5‐dihydro‐1H‐pyrrole‐1‐oxyl, and then with substituted arylisocyanates. The intermediate product (a paramagnetic betaine), which is the product of an intramolecular nucleophilic attack of the nitrogen atom of the iminophosphorane moiety on the carbon atom of the carbodiimide functional group, was isolated and structurally characterized. Subsequent interaction of the betaine with arylisocyanates under mild conditions gave spin‐labeled ferrocenophanes with the 1,3‐diazetidine‐2,4‐diimine coupler. It was found that the mutual arrangement of the substituents in the latter depends on the nature of the substituents in the arylisocyanate. Iodophenyl derivatives of 1,3‐diazetidine‐2,4‐diimines were cross‐coupled with the gold(I) nitronyl nitroxide‐2‐ide complex, thus yielding diradicals: metallocenophanes functionalized with various types of nitroxide substituents. Molecular and crystal structures of all mono‐ and diradicals were solved by X‐ray diffraction analysis.
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Time-dependent DFT calculations interpret well the UV-VIS-NIR spectra of molecular ions of 2-methyl-thioxanthenones. The proposed empirical kinetic model successfully describes the time dependencies of optical density during reduction.