Results 151 to 160 of about 1,164,097 (304)

A Mechanochemical Route for the Synthesis of Diphenyleneiodonium Salts and the Estimation of Their Relative Solid‐State Reactivities

Chemistry–Methods, EarlyView.
An efficient mechanochemical route for diphenyleneiodonium (DPI) salt synthesis is reported which offers a sustainable and solvent‐free alternative. The solid‐state reactivities of the reported DPI salts were also assessed with the help of morphology predictions and Hirshfeld surface analysis computations to understand the effect of crystal morphology,
Ipsha Shruti, Tejender S. Thakur
wiley   +1 more source

Accelerating the Structure Exploration of Diverse Bi–Pt Nanoclusters via Physics‐Informed Machine Learning Potential and Particle Swarm Optimization

ChemPhysChem, EarlyView.
The image is supposed to evoke particle swarm optimization applied to Bi–Pt bimetallic nanoparticles. Each bird represents a candidate nanoparticle structure. The lake and its shorelines represent the potential energy surface, generated using the ChiMES physics‐informed machine learning potential.
Raphaël Vangheluwe, Carine Clavaguéra, Minh‐Tue Truong, Dominik Domin, Huy Cong Pham, Mihai‐Cosmin Marinica, Nguyen‐Thi Van‐Oanh   +6 more
wiley   +1 more source

A non-solvated form of [(Z)-O-methyl-N-(2-methylphenyl)thiocarbamato-κS](triphenylphosphane-κP)gold(I): crystal structure and Hirshfeld surface analysis [PDF]

, 2016
Chien Ing Yeo, Sang Loon Tan, Edward R. T. Tiekink   +2 more
openalex   +1 more source

[3]Radialene Fluorophores with pH‐Switchable Emission and Stable Absorption Maxima

European Journal of Organic Chemistry, EarlyView.
The synthesis and characterization of the first push–pull quino [3]radialene fluorophore are reported, integrating a bis(dicyanomethylene)‐[3]radialene acceptor with a benzimidazole donor. It exhibits minimal solvatochromism, and vibronic coupling of the [3]radialene motif dominates the emission properties.
Jan P. Soyka, J. Felix Witte, Anja Wiesner, Alexander R. Krappe, Dana Wehner, Nicola Alnicola, Beate Paulus, Ute Resch‐Genger, Siegfried Eigler   +8 more
wiley   +1 more source

[N,N-Bis(2-hydroxyethyl)dithiocarbamato-κ²S,S′]bis(triphenylphosphane-κP)copper(I) chloroform monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements [PDF]

, 2016
Sang Loon Tan, Chien Ing Yeo, Peter J. Heard, Geoffrey R. Akien, Nathan R. Halcovitch, Edward R. T. Tiekink   +5 more
openalex   +1 more source

Single‐Crystal‐to‐Single‐Crystal Transformation in a Copper(II) Complex: Structural and Spectroscopic Insights into Methanol Elimination and Hydrogen Bond Network Formation

ChemistryOpen, EarlyView.
A methanol‐ligated copper(II) complex undergoes a single‐crystal‐to‐single‐crystal transformation upon solvent loss, retaining crystallinity while reorganizing its coordination geometry and hydrogen‐bonding network. This study investigates the single‐crystal‐to‐single‐crystal (SCSC) transformations of a copper(II) complex, [Cu(L1)2(acac)2]·2CH3OH (1 ...
Babak Mirtamizdoust, Amirhossein Karamad, Faeze Mojtabazade, Hassan Hosseini‐Monfared, Rahman Bikas   +4 more
wiley   +1 more source

Structural, Hirshfeld surface and theoretical analysis of two conformational polymorphs of N,N′-bis(pyridin-3-ylmethyl)oxalamide [PDF]

, 2016
Mukesh M. Jotani, J. Zukerman‐Schpector, Lucas Sousa Madureira, Pavel Poplaukhin, Hadi D. Arman, Tyler Miller, Edward R. T. Tiekink   +6 more
openalex   +1 more source

Unraveling the Crystal Structures of Picolinic Acid Derivatives: Synthesis, Packing, Interactions, and Conformational Flexibility

ChemistryOpen, EarlyView.
Subtle changes transform crystal structures: synthesis, interactions, and flexibility of novel picolinic acid derivatives with promising biomedical applications, detailed through X‐ray diffraction and conformational modeling. Picolinic acid and its derivatives are widely used as pendant arms in ligands for metal ion complexation, with possible ...
Sara Camorali, Lorenzo Tei, Marco Milanesio, Mattia Lopresti   +3 more
wiley   +1 more source

Spectroscopic, X‐Ray Crystallographic, and Hirshfeld Surface Analyses for the Investigation of Intermolecular Interactions in Carboxamide Hydrazone Hybrids

ChemistryOpen, EarlyView.
Two novel carboxamide hydrazone hybrids are synthesized and characterized. Structural, spectroscopic, and computational analyses reveal dominant hydrogen bonding, π–π stacking, and reactive sites. Compound 2b exhibits potent antibacterial activity against Staphylococcus aureus, highlighting its potential as a cost‐effective therapeutic agent.
Nabila A. Kheder, Mostafa E. Salem, Saied M. Soliman, Ismail A. Elhaty, Naglaa S. Mahmoud, Mohamed Abdel‐Megid, Kamal M. Dawood   +6 more
wiley   +1 more source

Counterion‐Mediated Luminophore Dimerization

Angewandte Chemie, Volume 137, Issue 34, August 18, 2025.
The choice of anion selectively directs the solution‐state aggregation of a cationic luminophore, dictating its photoluminescence. Some anions cause emission from a monomeric state, some induce excimer formation, and others lead to dimers, while the triflate counterion gives multichromatic emission from all three species.
Ash G. Carter, Promeet K. Saha, Antara Sikder, Juan A. Aguilar, Andrew P. Monkman, Alyssa‐Jennifer Avestro, Marc K. Etherington, Paul R. McGonigal   +7 more
wiley   +2 more sources