Results 81 to 90 of about 744,099 (279)

Halogen bond mediated crystal engineering of metal complexes [PDF]

, 2014
This project explored the potential for halogen bonds to predictably organise metal-containing molecular building blocks in crystalline materials. A novel method for the halogen bond mediated crystal engineering of metal complexes was discovered, which ...
Pfrunder, Michael Craig
core  

Clustomesogen Showing Sub‐Zero Liquid Crystal Properties: Supramolecular Assembly Between Cs2[Mo6Ii8(OCOC2F5)6] and Hexaethylenoxide Containing Mesogenic Dimers

Advanced Materials, EarlyView.
Associating a red‐NIR phosphorescent octahedral hexanuclear molybdenum cluster compound with hexaethyleneoxide chains bearing mesogenic units on both ends leads to an emissive hybrid liquid crystal showing mesomorphism on a very unusual temperature range down to −25°C.
Killiann Heinz, Jeanne Rebours, Zoulikha Zerrouqi, Noée Dumait, Maria Amela‐Cortes, Nikolai Scheuring, Sara Simonovska, Sebastian Marino, Max Ebert, Stéphane Cordier, Sabine Laschat, Yann Molard   +11 more
wiley   +1 more source

2-Iodopyridin-3-yl acetate

Molbank
The title compound 2-iodopyridin-3-yl acetate was obtained by acetylation of the OH group of 2-iodo-3-hydroxypyridine. Knowing that the hydroxyl group, as a strong H-bond donor in halogenated hydroxypyridines, usually directs supramolecular packing and ...
Mihaela Cristea, Sergiu Shova, Marcel Mirel Popa, Florea Dumitrascu   +3 more
doaj   +1 more source

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

Chiral Triazole-substituted Iodonium Salts in Enantioselective Halogen Bond Catalysis [PDF]

Herein, we present the synthesis of chiral triazole-based diaryliodonium salts and their application as monodentate asymmetric iodine(III) derivates in halogen bond (XB) catalyzed reactions.
Daniel, Duvinage, Boris Johannes, Nachtsheim, Tarek, Scheele, Tim, Neudecker, Mattis, Damrath   +4 more
core   +2 more sources

Phase‐Pure and Size‐Tunable Tin Halide Perovskite Quantum Dots

Advanced Materials, EarlyView.
A trioctylphosphine oxide modulated protocol allows for the synthesis and study of the optical properties of a broad library of tin halide perovskite quantum dots across multiple A‐ and X‐site compositions with precise size tuning while eliminating unwanted 2D phases.
Ole F. Dressler, Benjamin Aymoz, Sebastian Sabisch, Stefanie Frick, Sebastian Siol, Dmitry N. Dirin, Simon C. Boehme, Maksym V. Kovalenko   +7 more
wiley   +1 more source

Can Elastomers Combine Stiffness, Toughness and Fatigue Resistance?

Advanced Materials, EarlyView.
This review studies how the molecular and macroscopic architecture of elastomers influence their mechanical properties including: stiffness, stretchability, toughness, fatigue resistance, and damping behavior. By linking the structure to performance, it proposes design principles for advanced elastomeric systems that combine mechanical properties ...
Eva Baur, Esther Amstad
wiley   +1 more source

Halogen bonds 4: The strongest (?) halogen bond.

, 2014
Continuing my hunt, here is a candidate for a strong(est?) halogen bond, this time between Se and I.. The features of interest include:
openaire   +1 more source

Anion Recognition by Neutral and Cationic Iodotriazole Halogen Bonding Scaffolds

Molecules, 2020
A computational study of the iodide discrimination by different neutral and cationic iodotriazole halogen bonding hosts was carried out by means of Density Functional Theory.
Iñigo Iribarren, Goar Sánchez-Sanz, Cristina Trujillo   +2 more
doaj   +1 more source

Theoretical study of cooperativity between hydrogen bond‒hydrogen bond, halogen bond‒halogen bond and hydrogen bond‒halogen bond in ternary FX…diazine…XF (X = H and Cl) complexes

, 2017
In the present work, the cooperativity between hydrogen bond‒hydrogen bond, halogen bond‒halogen bond and hydrogen bond‒halogen bond in ternary FX…diazine…XF (X = H and Cl) complexes is theoretically investigated.
Mahdiyeh Ranjbar (3210702), Hamid Reza Masoodi (773779), Sotoodeh Bagheri (773780)   +2 more
core   +1 more source