Results 81 to 90 of about 19,109 (207)

A Competition between Hydrogen, Stacking, and Halogen Bonding in N-(4-((3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)selanyl)phenyl)acetamide: Structure, Hirshfeld Surface Analysis, 3D Energy Framework Approach, and DFT Calculation [PDF]

, 2022
Mohamed Gouda, Hela Ferjani, Hany M. Abd El‐Lateef, Mai M. Khalaf, Saad Shaaban, Tarek A. Yousef   +5 more
openalex   +1 more source

Modulating the Favored Emissive State of Functionalized Phenoxazines in Both Solution and the Solid State

ChemPhotoChem, EarlyView.
A library consisting of five terephthalonitrile‐based phenoxazines was prepared. Different donor/acceptor functionalization dominates the preferred environment for emission, either in solution, the solid state, or both. Absorption and emission wavelengths correlate with the Hammett parameter σp of the substituents.
Alexander Huber, Lea Höfmann, Sophia Felicitas Stadtfeld, Christoph Wölper, Oleg Prymak, Kenneth E. Maly, Fabio Rizzo, Jens Voskuhl   +7 more
wiley   +1 more source

Contact Electrification via Redox‐Active Molecules

Angewandte Chemie, Volume 138, Issue 1, 2 January 2026.
We present a novel molecular design strategy to perform electronic charge transfer during contact electrification by functionalizing surfaces with redox‐active organic molecules. To elucidate and quantify the underlying molecular‐level electron transfer processes, we combine X‐ray photoelectron spectroscopy, electrochemical analysis, density functional
Nisha Ranjan, Zohreh Izadi, Philipp Gaiser, María B. Camarada, Rekha Sharma, Andrej Weber, Michael Daub, Qiwei Hu, Michael Fiederle, Leonard Mayrhofer, Michael Moseler, Anna Fischer, Michael Walter, Birgit Esser, Bizan N. Balzer   +14 more
wiley   +2 more sources

(Tris{2-[(5-chloro-2-oxidobenzylidene-κO)amino-κN]ethyl}amine-κN)ytterbium(III): crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications, 2016
The YbIII atom in the title complex, [Yb(C27H24Cl3N4O3)] [systematic name: (2,2′,2′′-{(nitrilo)tris[ethane-2,1-diyl(nitrilo)methylylidene]}tris(4-chlorophenolato)ytterbium(III)], is coordinated by a trinegative, heptadentate ligand and exists within an ...
See Mun Lee, Kong Mun Lo, Sang Loon Tan, Edward R. T. Tiekink   +3 more
doaj   +1 more source

Uncovering the Interaction Nature of Solvation Shell for Transition‐Metal‐Based Aqueous Batteries

EcoEnergy, EarlyView.
Multiscale analyses are adopted to demystify the interaction and regularize the mechanism of ligand regulation for solvation by the methods of quantum chemistry, molecular dynamics, and wavefunction analyses. ABSTRACT Transition‐metal‐based aqueous batteries, particularly iron and zinc‐based systems, have emerged as promising candidates for energy ...
Yuxi Song, Zecheng Nie, Shuangbin Zhang, Yuling Chen, Jingya Wang, Chao Liu, Bin Luo, Pengyu Dong   +7 more
wiley   +1 more source

N-(6-Methoxypyridin-2-yl)-1-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications, 2018
The title compound, C16H15N5O2, adopts the shape of the letter L with the dihedral angle between the outer pyridyl rings being 78.37 (5)°; the dihedral angles between the central pyrazolyl ring (r.m.s.
Vivek C. Ramani, Rina D. Shah, Mukesh M. Jotani, Edward R. T. Tiekink   +3 more
doaj   +1 more source

Mercury(II)‐Triggered Oxidase‐Like Activity of CoSe2@Au NPs for Dual‐Mode Detection in Food

Food Frontiers, EarlyView.
ABSTRACT Owing to the strong and selective coordination with Hg2+, the high‐stable gold‐anchored cobalt selenide nanomaterials (CoSe2@Au NPs) were prepared via multi‐step wet chemical synthesis method for the dual‐mode sensing of Hg2+ in food samples. The interplay between the 3d orbital of Co and the 6s orbital of Hg can enhance the binding ability of
Jingkang Wang, Zongda Li, Youning Zhang, Mingping Shen, Xuefeng Yin, Yanfei Yan, Minwei Zhang   +6 more
wiley   +1 more source

2-[(1E)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]-6-methoxyphenol: crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications, 2016
The title dithiocarbazate ester, C16H16N2O2S2, comprises two almost planar residues, i.e. the phenyl ring and the remaining 14 non-H atoms (r.m.s. deviation = 0.0410 Å). These are orientated perpendicularly, forming a dihedral angle of 82.72 (5)°.
Enis Nadia Md Yusof, Mukesh M. Jotani, Edward R. T. Tiekink, Thahira B. S. A. Ravoof   +3 more
doaj   +1 more source

White‐Light Flexible Crystal With 180° Folding Induced by Halogen‐Bond Network in Organic‐Inorganic Hybrid Perovskite

Rare Metals, EarlyView.
ABSTRACT Organic‐inorganic hybrid perovskites (OIHPs) with white‐light emission have significant potential in solid‐state lighting and display due to the designable structure and excellent luminescent properties. However, OIHPs are prone to damage during bending due to the brittleness of crystals, which limits their application in the field of flexible
Jinyu Xu, Yuelun Fu, Liwen Kang, Yuxuan You, Qiangqiang Chai, Junyan Wu, Shuaiqi Wang, Kuanguan Liu, Zhenghuan Lin   +8 more
wiley   +1 more source

2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications, 2018
The title compound, C15H13ClO2S, comprises (4-chlorophenyl)sulfanyl, benzaldehyde and methoxy residues linked at a chiral methine-C atom (the crystal is racemic).
Ignez Caracelli, Julio Zukerman-Schpector, Henrique J. Traesel, Paulo R. Olivato, Mukesh M. Jotani, Edward R. T. Tiekink   +5 more
doaj   +1 more source