Results 61 to 70 of about 227,988 (252)

1-[({5-[(4-Methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1H-benzo[d][1,2,3]triazole

IUCrData, 2016
The title molecule, C23H20N6OS, adopts a cup-shaped conformation with the planes of the two benzene rings and the benzotriazole unit close to being parallel. The crystal packing features C—H...π(ring) and offset π–π stacking interactions.
Shaaban K. Mohamed, Elham A. Al-Taifi, Mehmet Akkurt, Joel T. Mague, Etify M. Bakhite   +4 more
doaj   +1 more source

Intermolecular Interactions as Driving Force of Increasing Multiphoton Absorption in a Perylene Diimide‐Based Coordination Polymer

Advanced Functional Materials, EarlyView.
This study uncovers the unexplored role of intermolecular interactions in multiphoton absorption in coordination polymers. By analyzing [Zn2tpda(DMA)2(DMF)0.3], it shows how the electronic coupling of the chromophores and confinement in the MOF enhance two‐and three‐photon absorption.
Simon Nicolas Deger, Anna Mauri, Yang Cui, Sebastian Josef Weishäupl, Ali Deniz Özdemir, Hamad Syed, Aleksandr Ovsianikov, Wolfgang Wenzel, Alexander Pöthig, Jürgen Hauer, Mariana Kozlowska, Roland Augustinus Fischer   +11 more
wiley   +1 more source

Self-assembly of supermolecular species directed by hydrogen bonding and aromatic π–π stacking interactions

Eclética Química, 2018
A new Cu(II) trimers, [Cu3(dcp)2(H2O)8]. 4DMF, with the ligand 3,5-pyrazoledicarboxylic acid monohydrate (H3dcp) has been prepared by solvent method. Its solid-state structure has been characterized by elemental analysis, thermal analysis (TGA and DSC ...
X. H. Li, A. F. Jalbout, W. D. Xiang
doaj   +1 more source

Advancing Electronic Application of Coordination Solids: Enhancing Electron Transport and Device Integration via Surface‐Mounted MOFs (SURMOFs)

Advanced Functional Materials, EarlyView.
The layer‐by‐layer (LbL) assembly of coordination solids, enabled by the surface‐mounted metal‐organic framework (SURMOF) platform, is on the cusp of generating the organic counterpart of the epitaxy of inorganics. The programmable and sequential SURMOF protocol, optimized by machine learning (ML), is suited for accessing high‐quality thin films of ...
Zhengtao Xu, Christof Wöll, Stefan Bräse   +2 more
wiley   +1 more source

Role of molecular packing in RTP features of positional isomers: The case study of triimidazo-triazine functionalized with ethynyl pyridine moieties

Next Materials
Organic materials characterized by multi-component emissive behavior including RTP features are extremely desirable for various applications. Frequently, long lasting emissions of solids are originated from intermolecular interactions whose role is far ...
Daniele Malpicci, Stefano Di Ciolo, Elena Cariati, Elena Lucenti, Daniele Marinotto, Daniele Maver, Clelia Giannini, Lucia Carlucci, Chiara Botta, Alessandra Forni   +9 more
doaj   +1 more source

N′-[(1Z)-1-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene)ethyl]-2-[(4-methylphenyl)sulfanyl]acetohydrazide

IUCrData, 2017
In the title compound, C21H22N4O2S, the dihedral angle between the pyrazole ring and adjacent benzene ring is 6.4 (1)°. The molecular conformation is influenced by intramolecular N—H...O and C—H...O hydrogen bonds.
Shaaban K. Mohamed, Joel T. Mague, Mehmet Akkurt, Mohamed S. Abbady, Etify A. Bakhite, Mustafa R. Albayati   +5 more
doaj   +1 more source

MnI‐Functionalized Covalent Organic Framework as Efficient Electrocatalyst for CO2 Reduction in a Catholyte‐Free Zero‐Gap Electrolyzer

Advanced Functional Materials, EarlyView.
This work demonstrates the successful integration of a phenanthroline‐based 2D COF with MnI catalytic sites into a catholyte‐free membrane‐electrode‐assembly cell for CO2 electroreduction. The crystalline COF actively suppresses Mn⁰–Mn⁰ dimerization, achieving a turnover frequency of 617 h⁻¹ at 2.8 V (full‐cell potential), and enabling stable operation.
Laura Spies, Marcos Eduardo G. Carmo, Gonçalves J. Marrenjo, Stephan Reuther, Patrick Ganswindt, Antonio Otavio T. Patrocinio, Thomas Bein, Osmando F. Lopes, Jenny Schneider   +8 more
wiley   +1 more source

(2E)-2-(1,3-Benzothiazol-2-yl)-3-(dimethylamino)prop-2-enenitrile

Acta Crystallographica Section E, 2014
The molecular conformation of title compound, C12H11N3S, is almost planar [maximum deviation = 0.063 (2) Å]; an intramolecular C—H...N hydrogen bond is noted.
Shaaban K. Mohamed, Mehmet Akkurt, Benson M. Kariuki, Ali M. Ali, Mustafa R. Albayati   +4 more
doaj   +1 more source

Electron-electron interactions in decoupled graphene layers

, 2010
Multi-layer graphene on the carbon face of silicon carbide is an intriguing electronic system which typically consists of a stack of ten or more layers. Rotational stacking faults in this system dramatically reduce inter-layer coherence.
A. H. MacDonald, G. F. Giuliani, Marco Polini, P. N. First, Reza Asgari, Rosario E. V. Profumo, Rosario Fazio   +6 more
core   +1 more source

Stacking and Registry Effects in Layered Materials: The Case of Hexagonal Boron Nitride [PDF]

, 2010
The interlayer sliding energy landscape of hexagonal boron nitride (h-BN) is investigated via a van der Waals corrected density functional theory approach.
Bernstein, Jonathan, Garel, Jonathan, Hod, Oded, Joselevich, Ernesto, Kronik, Leeor, Marom, Noa, Tkatchenko, Alexandre   +6 more
core   +3 more sources