Search results for "Zen"

showing 10 items of 3479 documents

CCDC 1435502: Experimental Crystal Structure Determination

2016

Related Article: Mikhail A. Kinzhalov, Svetlana A. Timofeeva, Konstantin V. Luzyanin, Vadim P. Boyarskiy, Anton A. Yakimanskiy, Matti Haukka, Vadim Yu. Kukushkin|2016|Organometallics|35|218|doi:10.1021/acs.organomet.5b00936

(NN'-bis(((2-Chloro-6-methylphenyl)amino)methylidene)-45-dimethylbenzene-12-diamine)-dichloro-palladium(ii) acetonitrile solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1995923: Experimental Crystal Structure Determination

2020

Related Article: Dinh Cao Huan Do, Petra Vasko, M. Ángeles Fuentes, Jamie Hicks, Simon Aldridge|2020|Dalton Trans.|49|8701|doi:10.1039/D0DT01447H

(N-(26-di-isoopropylphenyl)-13-bis(dimethylamino)-3-iminopropenyl)-(26-di-isopropylphenylimino)-(bis(trimethylsilyl)phosphide)-silicon benzene solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 704265: Experimental Crystal Structure Determination

2009

Related Article: A.Prades, M.Viciano, M.Sanau, E.Peris|2008|Organometallics|27|4254|doi:10.1021/om800377m

(eta^6^-(1-methyl-4-isopropyl)benzene)-(12-dimethyl-12-dihydro-3H-pyrazol-3-ylidene)-dichloro-rutheniumSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 977988: Experimental Crystal Structure Determination

2014

Related Article: Yozane Hokai, Boruch Jurkowicz, Jacob Fernández-Gallardo, Nuruddinkodja Zakirkhodjaev, Mercedes Sanaú, Theodore R. Muth, María Contel|2014|J.Inorg.Biochem.|138|81|doi:10.1016/j.jinorgbio.2014.05.008

(mu-11'-bis(diphenylphosphino)ferrocene)-bis(benzenethiolato)-di-goldSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 882325: Experimental Crystal Structure Determination

2015

Related Article: João Figueira, Wojciech Czardybon, José Carlos Mesquita, João Rodrigues, Fernando Lahoz, Luca Russo, Arto Valkonen, Kari Rissanen|2015|Dalton Trans.|44|4003|doi:10.1039/C4DT00493K

(mu2-14-Diethoxy-25-bis((4-ethynylphenyl)ethynyl)benzene)-dichloro-bis(triethylphosphine)-di-palladium(ii)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 848591: Experimental Crystal Structure Determination

2013

Related Article: R.V.Smaliy,M.Beauperin,A.Mielle,P.Richard,H.Cattey,A.N.Kostyuk,J.-C.Hierso|2012|Eur.J.Inorg.Chem.||1347|doi:10.1002/ejic.201101142

(mu~2~-11'22'44'-hexakis(diphenylphosphino)ferrocene)-hexacarbonyl-di-molybdenum benzene toluene solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 205740: Experimental Crystal Structure Determination

2004

Related Article: A.Antinolo, I.Dorado, M.Fajardo, A.Garces, I.Lopez-Solera, C.Lopez-Mardomingo, M.M.Kubicki, A.Otero, S.Prashar|2004|Eur.J.Inorg.Chem.||1299|doi:10.1002/ejic.200300530

(mu~2~-Benzene-14-di-imido)-tetrachloro-bis(eta^5^-pentamethyl-cyclopentadienyl)-di-tantalumSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 898735: Experimental Crystal Structure Determination

2013

Related Article: A.E.Ion, S.Nica, A.M.Madalan, F.Lloret, M.Julve, M.Andruh|2013|CrystEngComm|15|294|doi:10.1039/c2ce26469b

(mu~3~-246-Tris(((2-(dimethylamino)ethyl)imino)methyl)benzene-135-triolato)-tris(hydroxy(phenyl)acetato)-tri-copper diethyl ether solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Impact of the molecular structure of an indandione fragment containing azobenzene derivatives on the morphology and electrical properties of thin fil…

2016

Abstract The solution casting method is low-cost processing method. Moreover, it is possible to prepare amorphous thin films by using this method, and thus, both optical quality and electrical properties could be improved in compare to polycrystalline films made by thermal evaporation in vacuum. Therefore, low-molecular-weight compounds that form amorphous structure from solution could be promising in organic electronics. In this work film morphology, molecule energy levels, and charge carrier mobility in thin films of indandione fragment containing azobenzene derivatives were studied. Deep charge carrier trapping states that drastically influenced charge carrier mobility were observed for …

010302 applied physicsOrganic electronicsMaterials science02 engineering and technology021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesAmorphous solidchemistry.chemical_compoundAzobenzenechemistryElectron affinity0103 physical sciencesOrganic chemistryPhysical chemistryGeneral Materials ScienceCharge carrierCrystalliteThin filmIonization energy0210 nano-technologyMaterials Chemistry and Physics
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Quasi-RRHO approximation and DFT study for understanding the mechanism and kinetics of nitration reaction of benzonitrile with nitronium ion

2021

Abstract The nitration reaction of benzonitrile with nitronium cation, NO2+, has been studied within the Molecular Electron Density Theory at the MN15-L/aug-cc-pVTZ level of theory. For this electrophilic aromatic substitution (EAS) reaction, three regioisomeric reaction paths have been studied. Quasi-RRHO approximation was applied to consider the vibrational contribution to entropy and correct the Gibbs free energy profile of the reaction in the solvent phase. Benzonitrile is less nucleophilically activated than benzene due to the presence of the electron-withdrawing CN group the meta position is the more favorable reaction path of this EAS reaction. The analysis of ELF and AIM demonstrate…

010304 chemical physicsChemistryKineticsElectrophilic aromatic substitution010402 general chemistryCondensed Matter Physics01 natural sciencesBiochemistry0104 chemical sciencesGibbs free energychemistry.chemical_compoundBenzonitrilesymbols.namesakeMeta-Computational chemistryNitration0103 physical sciencessymbolsNitronium ionPhysical and Theoretical ChemistryBenzeneComputational and Theoretical Chemistry
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