Search results for "Benzene"
showing 10 items of 1701 documents
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
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
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
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
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
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
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 …
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…
The nature of interactions of benzene with CF3I and CF3CH2I
2019
In situ grown crystals of CF3I and CF3CH2I are dominated by I⋯I and F⋯F interactions. Their co-crystals with benzene, (CF3I)2·C6H6 and CF3CH2I·C6H6, contain two completely different sets of intermolecular interactions. (CF3I)2·C6H6 shows a unique halogen-bond type: above-the-bond C–I⋯πC6H6 interactions. CF3CH2I·C6H6 shows above-the-centre C–H⋯πC6H6 interactions. These interactions are electrostatically dominated type II halogen bonds between single halogenoalkane molecules and weaker dispersion dominated interactions between the co-crystal components. The observed preferences for benzene for the two binding partners match with calculated molecular electrostatic potentials.
Mild, Fast, and Easy To Conduct MoCl5-Mediated Dehydrogenative Coupling Reactions in Flow
2018
A convenient and straightforward approach to performing oxidative coupling reactions in flow is presented. A collection of electron-rich benzene derivatives was subjected to this protocol, and the distinct utility of molybdenum pentachloride (MoCl5) is established. Using this unexplored protocol, biphenyls could be obtained in 21–91% isolated yield. This simple protocol opens a new chapter in reagent-mediated dehydrogenative coupling reactions, and yields are compared to classical approaches.