Results 41 to 50 of about 6,148 (200)

Lead‐Free Chiral Hybrid Metal Halides for Circularly Polarized Light‐Emitting Diodes

Advanced Optical Materials, EarlyView.
Lead‐free chiral hybrid metal halides provide a versatile platform for realizing chiroptical responses through chiral modulation of metal–halide frameworks with diverse dimensionalities, induces inversion‐symmetry breaking and enables dissymmetric excited‐state transitions toward efficient circularly polarized luminescence and electroluminescence. This
Kun Zhu, Li Wan
wiley   +1 more source

Peroxide‐Assisted Solvate Engineering Enables Record‐High Birefringence in a Solar‐Blind Transparent Crystal

Angewandte Chemie, EarlyView.
H2O2‐directed solvate engineering reorganizes ∞[4HP] (4‐hydroxypyridine) chains from a crossed arrangement into a nearly parallel packing through strengthened hydrogen‐bonding interactions. The resulting peroxide‐containing crystal, 4HP·H2O2, exhibits a solar‐blind UV cutoff edge (278 nm) and giant birefringence (0.609 @ 546 nm). This work demonstrates
Yang Li, Congcong Jin, Kang Min Ok
wiley   +2 more sources

Crystal structure and Hirshfeld surface analysis of (2E,2′E)-1,1′-[selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one]

Acta Crystallographica Section E: Crystallographic Communications, 2019
In the title compound, C30H20Cl2O2Se, the C—Se—C angle is 99.0 (2)°, with the dihedral angle between the planes of the attached benzene rings being 79.1 (3)°. The average endocyclic angles (Se—C—C) facing the Se atom are 122.1 (5) and 122.2 (5)°.
Hazem Bouraoui, Youcef Mechehoud, Souheyla Chetioui, Rachid Touzani, Meriem Medjani, Ahmed Benmilat, Ali Boudjada   +6 more
doaj   +1 more source

Integrating Machine Learning With Constant‐Potential Simulation to Unravel Charge‐Transfer Mechanisms in Electrochemical Nitrogen Fixation

Advanced Science, EarlyView.
Integrating interpretable machine learning with the fixed‐potential method reveals a novel mechanism: the catalytic activity of the electrochemical nitrogen reduction reaction is governed by partial charge transfer, induced by variations in the intermediate potential of zero charge under constant potential.
Yufei Xue, Dushuo Feng, Yuefei Zhang, Yang Zhang, Yalong Jiao, Aijun Du, Guoping Gao   +6 more
wiley   +1 more source

Assembly of Bioactive Superstructures via Metal–Phenolic Complexation for Blood Purification

Angewandte Chemie, EarlyView.
Bioactive superstructures are assembled via metal–phenolic‐mediated assembly on agarose templates, followed by modification with human serum albumin. These superstructures demonstrate high bilirubin adsorption efficiency, strong antibacterial activity, and anticoagulant activity, providing a strategy for the rational design of multifunctional blood ...
Po Wang, Jingqu Chen, Siying Chen, Binsha Peng, Zhifeng Zhou, Ling Zhang, Rui Xie, Xiaojie Ju, Wei Wang, Dawei Pan, Liangyin Chu, Frank Caruso, Zhuang Liu   +12 more
wiley   +2 more sources

Crystal structure and Hirshfeld surface analysis of 1-[6-bromo-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one

Acta Crystallographica Section E: Crystallographic Communications
This study presents the synthesis, characterization and Hirshfeld surface analysis of 1-[6-bromo-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one, C19H18Br2N2O.
Anastasia A. Pronina, Alexandra G. Kutasevich, Mikhail S. Grigoriev, Khudayar I. Hasanov, Nurlana D. Sadikhova, Tahir A. Javadzade, Mehmet Akkurt, Ajaya Bhattarai   +7 more
doaj   +1 more source

6-Methyl-2-oxo-N-(quinolin-6-yl)-2H-chromene-3-carboxamide: crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications, 2016
The title coumarin derivative, C20H14N2O3, displays intramolecular N—H...O and weak C—H...O hydrogen bonds, which probably contribute to the approximate planarity of the molecule [dihedral angle between the coumarin and quinoline ring systems = 6.08 (6)°]
Lígia R. Gomes, John Nicolson Low, André Fonseca, Maria João Matos, Fernanda Borges   +4 more
doaj   +1 more source

(E)-{[(Butylsulfanyl)methanethioyl]amino}(4-methoxybenzylidene)amine: crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications, 2020
The title hydrazine carbodithioate, C13H18N2OS2, is constructed about a central and almost planar C2N2S2 chromophore (r.m.s. deviation = 0.0263 Å); the terminal methoxybenzene group is close to coplanar with this plane [dihedral angle = 3.92 (11)°].
Aqilah Fasihah Rusli, Huey Chong Kwong, Karen A. Crouse, Mukesh M. Jotani, Edward R. T. Tiekink   +4 more
doaj   +1 more source

A new pseudopolymorph of berberine chloride: crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E Crystallographic Communications, 2022
A new pseudopolymorph of berberine, 9,10-dimethoxy-5,6-dihydro-2H-7λ5-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ylium chloride methanol monosolvate, C20H18NO4 +·Cl−·CH3OH, was obtained during co-crystallization of berberine chloride with malonic acid from methanol.
Tatiana Kornilova, Viktor Glebov, Raúl Castañeda, Tatiana V. Timofeeva   +3 more
openaire   +3 more sources

Quantifying Magnetic Anisotropy of Ferroelectric Fe(II) Square‐Pyramidal Systems Using Torque Magnetometry

Advanced Science, EarlyView.
Five‐coordinate, square‐pyramidal Fe(II) complexes adopting polar, non‐centrosymmetric crystal structures exhibit exceptionally large easy‐axis magnetic anisotropy. Ligand‐driven distortions critically control the anisotropy, and the dielectric, Polarization vs Elecric field and piezo response studies confirm intrinsic polarization, positioning these ...
Vijaya Thangaraj, Gemma K. Gransbury, Deepanshu Chauhan, Dipanti Borah, Gopalan Rajaraman, Mauro Perfetti, Maheswaran Shanmugam   +6 more
wiley   +1 more source