Results 51 to 60 of about 60,540 (292)

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

Designed Lewis Acid–Base Passivation for High Performance Perovskite Solar Cells

open access: yesAdvanced Functional Materials, EarlyView.
ABSTRACT Silicon's high cost and long energy payback time remain major barriers to the global expansion of solar power. In contrast, metal–halide perovskites offer abundant, solution‐processable absorbers, and have achieved efficiencies of 25%–30%, positioning them as strong competitors to silicon.
Afna Manaf   +4 more
wiley   +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

Structure-acidity-IR spectra correlations for p-substituted N-phenylsulfonylbenzamides

open access: yes, 2004
The wavenumbers of the IR absorption bands of the C=O, S=O and N-H stretching vibrations for a series of p-substituted N-phenylsulfonylbenzamides were measured in trichloromethane.
Zora Sustekova   +13 more
core   +1 more source

Anion‐Exchange‐Enabled Hydrogel Electrolytes With High Zn2+ Transference for Dendrite‐Free Flexible Zinc‐Ion Batteries

open access: yesAdvanced Functional Materials, EarlyView.
A high‐Zn2+‐transference hydrogel electrolyte of ex‐PDADAM is developed via anion exchange at quaternary ammonium sites, achieving high Zn2+ transference number (0.86), ionic conductivity (8.10 mS cm−1), and toughness (51.25 MJ m−3). Symmetric cells are operated stably for over 2000 h, while flexible pouch cells retain 90.9% capacity after 300 cycles ...
Jung Woo Hong   +8 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

Steering Oxygen Activation Pathways via Redox Dual‐Defects in 2D Hydrated WO3 for High‐Yield Singlet Oxygen Evolution

open access: yesAdvanced Functional Materials, EarlyView.
Redox dual‐defects (Cs substitution and O vacancies) in 2D hydrated WO3 steer O2 activation toward selective singlet oxygen evolution. WO‐CO achieves 8.6–15.8 times higher 1O2 production than single‐defect or pristine catalysts, enabling efficient pollutant mineralization via a pathway‐selective photocatalytic mechanism.
Sheng‐Qi Guo   +8 more
wiley   +1 more source

Clusterization‐Triggered Emission from Cellulose‐Based Luminophores in Dilute Aqueous Solution through Imine Formation

open access: yesAdvanced Functional Materials, EarlyView.
Clusterization‐triggered emission is realized in dilute aqueous solution by introducing imine linkages into cellulose‐based luminophores. Imine functionalization creates O/N‐rich, hydrogen‐bonded clustered microenvironments that stabilize emissive states and restrict molecular motions. Luminescence is tunable by amine type and multiplicity.
Yazhou Su   +5 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

Integrated Visible Light and Oxidant Protection Through Multifunctional Sunscreens

open access: yesAdvanced Healthcare Materials, EarlyView.
High‐energy visible radiation (HEVR), although less energetic than UV light, penetrates deeper into the skin and contributes to photoaging, pigmentation disorders, and oxidative stress. The development of new HEVR‐targeted filters, therefore, represents not only a scientific challenge but also a pressing public health and cosmetic industry need.
Beatriz Peñín   +3 more
wiley   +1 more source

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