Results 41 to 50 of about 469,475 (238)

Interplay between N∙∙∙H, N∙∙∙X and π∙∙∙X interactions in the complex pairing of pyrazine with hypohalous acids: A NBO and QTAIM (quantum theory of atoms in molecules) analysis

Bulletin of the Chemical Society of Ethiopia, 2017
The theoretical calculations of the complexes formed by pyrazine (PZ) with hypohalous acids (HOX; X= F, Cl, Br and I) have been carried out at the MP2/6-311++G(2d,2p) computational level.
A. Zabardasti, Y. A. Tyula, H. Goudarziafshar   +2 more
doaj   +1 more source

Fluorination: A strategy to tune the interactions of molecules and nanoscale systems with biological matter

FEBS Open Bio, EarlyView.
This minireview explores fluorination as a key strategy to optimize therapeutic molecules and nanocarriers. By incorporating different fluorinated motifs—from single atoms to linear and branched chains—drug delivery, cellular uptake, and colloidal stability can be improved and fine‐tuned.
Martina Beccalli, Beatrice Lucia Bona, Francesca Baldelli Bombelli   +2 more
wiley   +1 more source

Luminescent halogen clusters

Cell Reports Physical Science, 2022
Summary: Halogen···halogen (X···X) short contacts, especially halogen bonds (XBs), have been widely used in multifarious fields because of their bridging function among luminophores, as well as their well-known heavy atom effect.
Zihao Zhao, Huili Ma, Saixing Tang, Yuxuan Li, Siyu Tao, Tianjia Yang, Anqi Lv, Wang Zhang Yuan   +7 more
doaj   +1 more source

Straightening out halogen bonds

, 2020
The fine control of molecular arrangements using intermolecular interactions is essential for the reliable formation of complex materials. The predictable directionality of supramolecular forces is a key aspect that allows bottom-up design of such ...
Brock, Aidan J, Clegg, Jack Kay, Setter, Caitlin J., Whittaker, Jacob J., Arachchige, Kasun, Pfrunder, Michael Craig, McMurtrie, John   +6 more
core   +1 more source

Spatially Regulated Silicon Clusters in Trimodal Composite Anodes for High‐Energy Lithium‐Ion Batteries

Advanced Functional Materials, EarlyView.
A trimodal anode architecture spatially regulates silicon clusters within confined interstitial environments formed by graphite and contorted hexabenzocoronene. This confinement suppresses silicon aggregation and localized stress while enabling efficient Li‐ion transport, achieving high‐capacity, stable lithium‐ion batteries.
Jeongmi Joo, Minsung Kang, Seung Hak Oh, Jee Ho Ha, Hyunji Cha, Jimin Han, Ji‐Su Lim, Dae Hyeon Kwon, Won‐Jin Kwak, Sang Kyu Kwak, Seokhoon Ahn, Seok Ju Kang   +11 more
wiley   +1 more source

A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems

IUCrJ, 2015
As halogen bonds gain prevalence in supramolecular synthesis and materials chemistry, it has become necessary to examine more closely how such interactions compete with or complement hydrogen bonds whenever both are present within the same system.
Christer B. Aakeröy, Christine L. Spartz, Sean Dembowski, Savannah Dwyre, John Desper   +4 more
doaj   +1 more source

Skeletal metalation of lactams through a carbonyl-to-nickel-exchange logic

Nature Communications, 2023
Classical metalation reactions such as the metal-halogen exchange have had a transformative impact on organic synthesis owing to their broad applicability in building carbon-carbon bonds from carbon-halogen bonds.
Hongyu Zhong, Dominic T. Egger, Valentina C. M. Gasser, Patrick Finkelstein, Loris Keim, Merlin Z. Seidel, Nils Trapp, Bill Morandi   +7 more
doaj   +1 more source

Lone‐Pair‐Induced Lattice Distortion in Lead‐Free Hybrid Perovskites for High‐Performance Nanogenerators

Advanced Functional Materials, EarlyView.
A lead‐free tin‐based hybrid perovskite is designed in which stereochemically active lone‐pair electrons on tin distort the crystal lattice and break its symmetry. Blended into a flexible polymer, the material converts pressure into electricity at milliwatt‐scale power density and continues working far below freezing, powering a commercial wristwatch ...
Majid Haji Bagheri, Asif Abdullah Khan, Md Fahim Al Fattah, Mahmoud Almadhoun, Shamaila Shahzadi, Aixi Pan, Md Soyaeb Hasan, Henry Wu, Arash Aghigh, Bhawna Bhawna, François Légaré, Vivek Maheshwari, Dayan Ban   +12 more
wiley   +1 more source

Nature of the Hydrogen Bond Enhanced Halogen Bond

Molecules, 2021
The factors responsible for the enhancement of the halogen bond by an adjacent hydrogen bond have been quantitatively explored by means of state-of-the-art computational methods. It is found that the strength of a halogen bond is enhanced by ca.
Susana Portela, Israel Fernández
doaj   +1 more source

Isostructural Halogen Exchange and Halogen Bonds: The Case of N(4-Halogenobenzyl)-3-halogenopyridinium Halogenides

, 2022
Six N-(4-halogenobenzyl)-3-halogenopyridinium cations were prepared by reacting meta-halogenopyridines (Cl, Br, and I) with (4-halogenobenzyl) bromides (Br and I) and were isolated as bromide salts, which were further used to obtain iodides and chlorides.
Luka Fotović, Vladimir Stilinović, Nikola Bedeković, Vladimir Stilinović (1645084), Nikola Bedeković (4509187), Luka Fotović (4575664)   +5 more
core   +1 more source