Results 161 to 170 of about 1,789,137 (351)

Pyrimidine‐Based Four‐Coordinate O^N^O Boron Complexes: Synthesis, Photophysical and Theoretical Studies, and TADF‐Based OLED Devices

Chemistry – A European Journal, EarlyView.
This article describes the synthesis, along with the full photophysical and computational characterization, of a series of push‐pull boron complexes comprising a sterically hindered donor connected to a pyrimidine‐based O^N^O boron chelate. Incorporation of the dimethylacridan derivative into an organic light‐emitting diode led to the observation of ...
Clément Diguet, Amparo Navarro, M. Paz Fernández‐Liencres, Sonia B. Jiménez‐Pulido, Nuria A. Illán‐Cabeza, Abdullah Almutairi, Denis Tondelier, Sébastien Gauthier, Françoise Robin‐le Guen, Julián Rodríguez‐López, Julien Massue, Sylvain Achelle   +11 more
wiley   +1 more source

Crystal structure and Hirshfeld surface analysis of 1-(2,4-dichlorobenzyl)-5-methyl-N-(thiophene-2-sulfonyl)-1H-pyrazole-3-carboxamide

Acta Crystallographica Section E: Crystallographic Communications, 2018
In the title compound, C16H13Cl2N3O3S2, the thiophene ring is disordered in a 0.762 (3):0.238 (3) ratio by an approximate 180° rotation of the ring around the S—C bond linking the ring to the sulfonyl unit.
Abdullah Aydin, Mehmet Akkurt, Zehra Tugce Gur, Erden Banoğlu   +3 more
doaj   +1 more source

Synthesis, structure and Hirshfeld surface analysis of pyridinium derivative crystals

Molecular Crystals and Liquid Crystals
Slow evaporation methods were employed to grow single crystals of 3-acetylpyridinium picrate (I), 4-acetylpyridinium picrate (II), and pyridin-4-ylmethanaminium 2,2-diphenylacetate hydrate (III). Crystal (I) and (III) crystallize triclinic crystal system with a centric (Pī) space group and (II) crystallize in a monoclinic system with a centric (P21/c ...
V. Balasubramanian, L. Guganathan, S. Ignatius Arockiam, C. Balakrishnan   +3 more
openaire   +1 more source

Fine‐Tuning the Motion of Tetrafluoro‐1,4‐Benzoquinone Within Charge‐Transfer Cocrystals Through Variation of the Donor: An Entropic and Enthalpic Point of View

Chemistry – A European Journal, EarlyView.
Five CT cocrystals using TFBQ and fused, polycyclic donors derived from fluorene are synthesized. The π‐stacking in all cocrystals provides a platform for the displaying of in‐plane molecular motions of TFBQ, which is by supramolecular interactions.
Armando Navarro‐Huerta, Martha E. García‐Aguilera, Jan Blahut, Erika Bartůňková, Rubén A. Toscano, Mario Rodríguez, Martin Dračínský, Braulio Rodríguez‐Molina   +7 more
wiley   +1 more source

Crystal structure and Hirshfeld surface analysis of 1-{[2-oxo-3-(prop-1-en-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]methyl}-3-(prop-1-en-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

Acta Crystallographica Section E: Crystallographic Communications, 2018
In the title compound, C21H20N4O2, the intramolecular C—H...O hydrogen-bonded benzodiazolone moieties are planar to within 0.017 (1) and 0.026 (1) Å, and are oriented at a dihedral angle of 57.35 (3)°.
Asmaa Saber, Nada Kheira Sebbar, Tuncer Hökelek, Brahim Hni, Joel T. Mague, El Mokhtar Essassi   +5 more
doaj   +1 more source

Bispidine‐Based Copper(II) Coordination Polymers with Remarkable Dynamic Properties, Selective Volatile Organic Compounds Adsorption, and Exchange Capabilities

Chemistry – A European Journal, EarlyView.
Novel bispidine‐based Cu(II) CPs show remarkable selective VOC adsorption and 1D to 2D transformations. Abstract This study presents novel bispidine‐based Cu(II) coordination polymers (CPs) with remarkable dynamic properties, volatile organic compounds (VOCs) exchange, and selective adsorption capabilities.
Meriem Goudjil, Martina Lippi, Chiara Pelosi, Luca Bernazzani, Patrizia Rossi, Paola Paoli, Massimo Cametti   +6 more
wiley   +1 more source

Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature

, 2017
Water molecules adsorbed on inorganic substrates play an important role in several technological applications. In the presence of light atoms in adsorbates, nuclear quantum effects (NQE) influence properties of these systems. In this work, we explore the
Davide Donadio, Johnson E., Mariana Rossi, Michele Ceriotti, Yair Litman   +4 more
core   +1 more source

N,N‐Bis(trifluoromethyl)aminoacetonitrile: A Versatile Building Block for the Introduction of the Bis(trifluoromethyl)amino Group

Chemistry – A European Journal, Accepted Article.
N,N‐Bis(trifluoromethyl)aminoacetonitrile (CF3)2NCH2CN (1) that is accessible via a simple single‐step protocol is establish­ed as building block for the introduction of the (CF3)2N group. The two reaction sites of 1, the methylene unit and the nitrile (cyano) group, provide access to different organic substance classes.
Kristina A. M. Maibom, Christoph Breitenstein, Sabine Lorenzen, Tanja Knuplez, Leon N. Schneider, Younes B. J. Bejaoui, Johannes Gierling, Krzysztof Radacki, Holger Braunschweig, Carl Deutsch, Min Shan, Thomas Fuchß, Michael Schulte, Nikolai Ignat'ev, Maik Finze   +14 more
wiley   +1 more source

Structural Insights and Advanced Spectroscopic Characterization of Thiazolothiazoles: Unveiling Potential for Optoelectronic and Sensing Applications

Chemistry – A European Journal, EarlyView.
TzTz derivatives are promising materials for flexible optoelectronic and sensing applications due to their easy synthesis, tunable properties, and stability. This study analyzes 10 TzTz derivatives, detailing their synthesis, spectroscopic characterization (FTIR, NMR, UV‐Vis), fluorescence behavior, and synchrotron XANES findings, showcasing their ...
Karolina Gutmańska, Agnieszka Podborska, Andrzej Sławek, Ramesh Sivasamy, Lulu Alluhaibi, Alexey Maximenko, Anna Ordyszewska, Konrad Szaciłowski, Anna Dołęga, Tomasz Mazur   +9 more
wiley   +1 more source

Intracellular and Extracellular Efficacy of Homoisoflavone Derivatives Against Mycobacterium tuberculosis: Progress Toward Novel Antitubercular Agents

ChemMedChem, Accepted Article.
Tuberculosis (TB) is the leading cause of death among infectious diseases, and new studies focusing new anti‐TB drugs are urgent due to the emergence of drug‐resistant strains. In this regard, homoisoflavones, an underexplored subgroup of flavonoids, were explored for their potential as anti‐TB agents.
Sanderson D. Calixto, Juliane S. Falcão, Stella S. Antunes, Marlon H. Araujo, Alexandre L. B. Cunha, David R. Martins, Sarah M. R. Nascimento, Thatiana L. B. V. Simão, Elena B. Lasunskaia, Nelilma C. Romeiro, Paulo R. R. Costa, Michelle Muzitano, Guilherme S. Caleffi   +12 more
wiley   +1 more source