Results 81 to 90 of about 49,182 (344)

Redox‐Switchable Poly‐Lewis Acids Allow the Controlled Release of Guests

Angewandte Chemie International Edition, EarlyView.
This study introduces redox‐switchable poly‐Lewis acids (PLAs) based on dibenzo[a,e]cyclooctatetraene, whose reduction leads to planarisation, π$\upi$‐system extension, and weakened Lewis acidity, enabling controlled guest release. The reversible switching of these PLAs and their coordination polymers highlights their potential for applications in ...
Maximilian J. Klingsiek, Yury V. Vishnevskiy, Julian Buth, Jan‐Hendrik Lamm, Beate Neumann, Hans‐Georg Stammler, Norbert W. Mitzel   +6 more
wiley   +1 more source

Elucidating the formation of Al-NBO bonds, Al-O-Al linkages and clusters in alkaline-earth aluminosilicate glasses based on molecular dynamics simulations.

Physical Chemistry, Chemical Physics - PCCP, 2019
Exploring the reasons for the initiation of Al-O-Al bond formation in alkali-earth alumino silicate glasses is a key topic in the glass-science community.
Sudheer Ganisetti, Anuraag Gaddam, R. Kumar, S. Balaji, G. C. Mather, M. Pascual, M. Fábián, Renée Siegel, J. Senker, V. Kharton, J. Guénolé, N. Krishnan, J. Ferreira, A. R. Allu   +13 more
semanticscholar   +1 more source

Conformational and stereoelectronic investigation of tryptamine. An AIM/NBO study

Journal of Molecular Modeling, 2011
Due to the free radical scavenger properties of Tryptamine (TRA), as well as of others indole derivatives, it is in our interest to explore deeply the stereoelectronic aspects that would be relevant in their stabilization and antioxidant activity.
Lobayan, Rosana M., Pérez Schmit, María C., Jubert, Alicia Haydeé, Vitale, Arturo Alberto   +3 more
openaire   +4 more sources

π-Electron Donation at the Sulfoximidoyl Nitrogen Atom. [PDF]

Angew Chem Int Ed Engl
Density functional theory (DFT)‐based evidence for a strong positive mesomeric effect (+M‐effect) of the sulfoximidoyl group at N is presented. Our findings contrast with common characterizations of the sulfoximidoyl group as an exclusively electron‐withdrawing moiety.
Statham BJ, Mulks FF, Bolm C.
europepmc   +3 more sources

Bicyclo[1.1.0]tetragermane‐2,4‐diide Diradicaloid

Angewandte Chemie International Edition, EarlyView.
The bicyclo[1.1.0]tetragermane‐2,4‐diide diradicaloid compound [(ADC)2Ge4] featuring a stretched bridgehead Ge─Ge bond is reported as a Venetian red crystalline solid. [(ADC)2Ge4] has been characterized by experimental and computational methods and its reactivity with TEMPO and Fe2(CO)9 has been explored.
Falk Ebeler, Yury V. Vishnevskiy, Jan‐Hendrik Lamm, Beate Neumann, Hans‐Georg Stammler, Rajendra S. Ghadwal   +5 more
wiley   +1 more source

The Interaction Strength, Frequency-shifts and Covalence of the C2H4O∙∙∙HOCl and C2H5N∙∙∙HOCl Heterocyclic Complexes

Orbital: The Electronic Journal of Chemistry, 2017
A theoretical study of the structural parameters, electronic properties and vibration modes of the C2H4O∙∙∙HOCl and C2H5N∙∙∙HOCl complexes. The great particularity of these complexes is the O–Cl s-hole, which is considered a proton donor center due to ...
Boaz Galdino de Oliveira
doaj   +1 more source

Effects of hyperoxia on 18F-fluoro-misonidazole brain uptake and tissue oxygen tension following middle cerebral artery occlusion in rodents: Pilot studies. [PDF]

PLoS ONE, 2017
PURPOSE:Mapping brain hypoxia is a major goal for stroke diagnosis, pathophysiology and treatment monitoring. 18F-fluoro-misonidazole (FMISO) positron emission tomography (PET) is the gold standard hypoxia imaging method.
Tim D Fryer, Sohail Ejaz, Ulf Jensen-Kondering, David J Williamson, Sergey Sitnikov, Stephen J Sawiak, Franklin I Aigbirhio, Young T Hong, Jean-Claude Baron   +8 more
doaj   +1 more source

Anode material NbO for Li-ion battery and its electrochemical properties

Rare Metals, 2018
The NbO electrode materials were successfully synthesized by high-temperature solid-phase method using Nb powders and Nb2O5 powders as raw materials. The crystalline structure, morphology, and electrochemical properties of the obtained materials were ...
Jian Li, Wenwei Liu, Hongming Zhou, Zhong-Zhong Liu, Baoling Chen, Wen-jiao Sun   +5 more
semanticscholar   +1 more source

Polyhydroxy‐Decorated 2D Covalent Organic Framework with Imine Active Sites toward Efficient Electrocatalytic Oxygen Reduction Reaction: Experimental and Theoretical Insights

Chemistry – An Asian Journal, EarlyView.
Hydroxyl‐functionalized enamine/imine‐linked two‐dimensional (2D) COFs (TFPh_DHPh_COF) exhibits efficient and durable metal‐free ORR activity in alkaline media via a favorable 4e⁻ pathway. Enhanced charge transfer and O2 activation arise from tailored linkages and active‐site charge distribution.
Manisha Das, Thakur Rochak Kumar Rana, Santanu Chand, Sumit Kumar, Takaya Ogawa, Laurent Billon, Tokuhisa Kawawaki, Sabuj Kanti Das, Yuichi Negishi   +8 more
wiley   +1 more source

Mechanistic evaluations of photocatalytic access to N‐centered radicals and nitrenoids

Bulletin of the Korean Chemical Society, EarlyView.
Recently, the photocatalytic formation of reactive N‐centered radicals or nitrenes from prefunctionalized amine precursors via single‐electron transfer (SET) or triplet–triplet energy transfer (TTEnT) has been significantly developed. However, the detailed electron flow during N–X bond cleavage leading to these intermediates remains unclear. Herein, we
Hoimin Jung, Jeonguk Kweon, Sukbok Chang
wiley   +1 more source