Results 41 to 50 of about 1,415,920 (286)

A theoretical simulation of the resonant Raman spectroscopy of the H2O⋯Cl2 and H2O⋯Br2 halogen-bonded complexes [PDF]

, 2016
The resonant Raman spectra of the H2O⋯Cl2 and H2O⋯Br2 halogen-bonded complexes have been studied in the framework of a 2-dimensional model previously used in the simulation of their UV-visible absorption spectra using time-dependent techniques.
Janda K. C., Jesús Rubayo-Soneira, Kenneth C. Janda, Nadine Halberstadt, Press W. H., Ricardo Franklin-Mergarejo, Tannor D. J., V. Ara Apkarian   +7 more
core   +2 more sources

Supramolecular Modulation of Hybrid Perovskite Solar Cells via Bifunctional Halogen Bonding Revealed by Two-Dimensional 19F Solid-State NMR Spectroscopy.

Journal of the American Chemical Society, 2020
There has been an ongoing effort to overcome the limitations associated with the stability of hybrid organic-inorganic perovskite solar cells by using different organic agents as additives to the perovskite formulations.
Marco A. Ruiz‐Preciado, D. Kubicki, Albert Hofstetter, L. McGovern, Moritz H. Futscher, Amita Ummadisingu, Renana Gershoni‐Poranne, S. M. Zakeeruddin, B. Ehrler, L. Emsley, Jovana V. Milić, M. Grätzel   +11 more
semanticscholar   +1 more source

Looking Back, Looking Forward at Halogen Bonding in Drug Discovery

Molecules, 2017
Halogen bonding has emerged at the forefront of advances in improving ligand: receptor interactions. In particular the newfound ability of this extant non-covalent-bonding phenomena has revolutionized computational approaches to drug discovery while ...
Lois Mendez, Gabriela Henriquez, Suman Sirimulla, Mahesh Narayan   +3 more
doaj   +1 more source

Halogen bonding in the co-crystallization of potentially ditopic diiodotetrafluorobenzene: a powerful tool for constructing multicomponent supramolecular assemblies

National Science Review, 2020
Halogen bonding is emerging as a significant driving force for supramolecular self-assembly and has aroused great interest during the last two decades.
Xuehua Ding, Yongzheng Chang, Chang-jin Ou, Jinyi Lin, Linghai Xie, Wei Huang   +5 more
semanticscholar   +1 more source

Mechanochemical Preparations of Anion Coordinated Architectures Based on 3‐Iodoethynylpyridine and 3‐Iodoethynylbenzoic Acid

ChemistryOpen, 2019
The halogen bond has previously been explored as a versatile tool in crystal engineering and anion coordination chemistry, with mechanochemical synthetic techniques having been shown to provide convenient routes towards cocrystals. In an effort to expand
Vincent M. Morin, Dr. Patrick M. J. Szell, Estelle Caron‐Poulin, Dr. Bulat Gabidullin, Prof. Dr. David L. Bryce   +4 more
doaj   +1 more source

π covalency in the halogen bond

Nature Communications, 2020
Current models of halogen bonding describe the σ-symmetric component of this interaction but do not contemplate the possibility of π-covalency. Here the authors provide experimental and computational evidence of π-covalency in halogen bonds involving ...
Cameron W. Kellett, Pierre Kennepohl, Curtis P. Berlinguette   +2 more
doaj   +1 more source

Competition between hydrogen and halogen bonding in halogenated 1-methyluracil: water systems [PDF]

, 2016
The competition between hydrogen- and halogen-bonding interactions in complexes of 5-halogenated 1-methyluracil (XmU; X = F, Cl, Br, I or At) with one or two water molecules in the binding region between C5-X and C4=O4 is investigated with M06-2X/6-31+G ...
Hogan, Simon William Leslie, van Mourik, Tanja   +1 more
core   +1 more source

Studies of Halogen Bonding Induced by Pentafluorosulfanyl Aryl Iodides: A Potential Group of Halogen Bond Donors in a Rational Drug Design

Molecules, 2019
The activation of halogen bonding by the substitution of the pentafluoro-λ6-sulfanyl (SF5) group was studied using a series of SF5-substituted iodobenzenes.
Yuji Sumii, Kenta Sasaki, Seiji Tsuzuki, Norio Shibata   +3 more
doaj   +1 more source

Solid-State Fluorescence Enhancement of Bromine-Substituted Trans-Enaminone Derivatives

Organic Materials, 2020
Halogen bonding, as a kind of intermolecular interaction, has rarely been used to tune solid-state emission properties of luminescent materials, especially fluorescent materials.
Hua Li, Haiyang Shu, Xin Wang, Xiaofu Wu, Hongkun Tian, Hui Tong, Lixiang Wang   +6 more
doaj   +1 more source

Tailoring the strength and number of halogen bonds toward room temperature phosphorescent micro‐cocrystals

Nano Select, 2021
Organic room temperature phosphorescent materials are very limited to date. Halogen bonding interactions not only promote the intersystem crossing process, but also act as cement and dilute solution, preventing the aggregation induced quenching.
Panpan Yu, Yang Li, Yonggang Zhen, Huanli Dong, Wenping Hu   +4 more
doaj   +1 more source