Results 31 to 40 of about 49,832 (253)

Rotational Spectroscopy Meets Quantum Chemistry for Analyzing Substituent Effects on Non-Covalent Interactions: The Case of the Trifluoroacetophenone-Water Complex

open access: yesMolecules, 2020
The most stable isomer of the 1:1 complex formed by 2,2,2-trifluoroacetophenone and water has been characterized by combining rotational spectroscopy in supersonic expansion and state-of-the-art quantum-chemical computations.
Juncheng Lei   +7 more
doaj   +1 more source

Acid Site Design for Low Hydration Proton Exchange Membranes

open access: yesAdvanced Functional Materials, EarlyView.
α‐CF2 substitution adjacent to sulfonic acid increases acid strength and enables efficient proton transport under low hydration conditions. This molecular design reduces the dependence of hydrocarbon proton exchange membranes on excessive water uptake, addressing a key limitation of conventional hydrocarbon PEMs while maintaining favorable conductivity
Ajay Kumar   +10 more
wiley   +1 more source

Long-range Effect of Bromine in the Deprotonative Metalation of Aromatic Compounds

open access: yesCHIMIA, 2016
Deprotonative metalation has been largely used to functionalize aromatic compounds. The efficiency of such reactions, as well as their regioselectivity, depends on the substituents connected to the rings.
Florence Mongin
doaj   +1 more source

Local Vibrational Mode Analysis of π–Hole Interactions between Aryl Donors and Small Molecule Acceptors

open access: yesCrystals, 2020
11 aryl–lone pair and three aryl–anion π –hole interactions are investigated, along with the argon–benzene dimer and water dimer as reference compounds, utilizing the local vibrational mode theory, originally introduced by Konkoli and Cremer, to ...
Seth Yannacone   +4 more
doaj   +1 more source

Molecular Rotors: From Newtonian Fluids to Functional Materials as Viscosity and Temperature Sensing Tools

open access: yesAdvanced Functional Materials, EarlyView.
Molecular rotors are fluorescent molecules that are sensitive to viscosity and temperature variations in the environment. They exhibit a direct correlation between fluorescence and viscosity within Newtonian fluids. However, this correlation becomes less straightforward in complex systems.
Flavia Di Scala   +6 more
wiley   +1 more source

Tailored Diketopyrrolopyrrole Derivatives for Efficient Deep‐Red Organic Lasers

open access: yesAdvanced Functional Materials, EarlyView.
Tailored diketopyrrolopyrrole derivatives exhibit high stable amplified spontaneous emission with single or dual bands. Incorporated into distributed‐feedback lasers based on one‐ and two‐dimensional dichromated‐gelatin diffractive gratings, these materials provide a robust, flexible platform for integrated organic deep‐red light sources. ABSTRACT Deep‐
Pablo Pasqués‐Gramage   +10 more
wiley   +1 more source

A Theoretical Study of the Relationship between the Electrophilicity ω Index and Hammett Constant σp in [3+2] Cycloaddition Reactions of Aryl Azide/Alkyne Derivatives

open access: yesMolecules, 2016
The relationship between the electrophilicity ω index and the Hammett constant σp has been studied for the [2+3] cycloaddition reactions of a series of para-substituted phenyl azides towards para-substituted phenyl alkynes. The electrophilicity ω index—a
Hicham Ben El Ayouchia   +5 more
doaj   +1 more source

Bioinspired Co‐Assembly Enables Multiscale Architected Hydrogels for 3D Printing With Integrated Antibacterial and Bioactive Functions

open access: yesAdvanced Functional Materials, EarlyView.
A multicomponent supramolecular hydrogel integrating cell‐adhesive and antibacterial peptides within an alginate‐cellulose nanofibril matrix is developed. Peptide co‐assembly simultaneously strengthens the hydrogel network, improves extrusion printability, and imparts cell‐adhesive and antibacterial functions, offering a versatile platform for ...
Mor Tsuriano‐Zernichov   +4 more
wiley   +1 more source

Spiro‐Phenothiazine Hole‐Transporting Materials: Unlocking Stability and Scalability in Perovskite Solar Cells

open access: yesAdvanced Materials, EarlyView.
Fluorene‐functionalized spiro‐phenothiazine (PTZ‐Fl) exhibits strong Li+ affinity and thermal stability, enabling a PCE of 25.75% in small‐area cells and 22.07% in 25 cm2 modules. Under ISOS‐L3 conditions, PTZ‐Flbased devices retain over 80% efficiency after 1000 hours, demonstrating superior stability and scalability compared to spiro‐OMeTAD for next ...
Javier Urieta‐Mora   +17 more
wiley   +1 more source

Effect of substituents on the 1H-NMR chemical shifts of 3-methylene-2-substituted-1,4-pentadienes [PDF]

open access: yesJournal of the Serbian Chemical Society, 2003
The principle of linear free energy relationships was applied to the 1H chemical shifts of the b-vinyl proton atoms of 3-methylene-2-substituted-1,4-pentadienes.
GORDANA S. USCUMLIC, NATASA V. VALENTIC
doaj  

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