Results 71 to 80 of about 68,348 (275)

Halogen bonding (X‐bonding): A biological perspective [PDF]

Protein Science, 2012
AbstractThe concept of the halogen bond (or X‐bond) has become recognized as contributing significantly to the specificity in recognition of a large class of halogenated compounds. The interaction is most easily understood as primarily an electrostatically driven molecular interaction, where an electropositive crown, or σ‐hole, serves as a Lewis acid ...
Matthew R, Scholfield, Crystal M Vander, Zanden, Megan, Carter, P Shing, Ho   +3 more
openaire   +2 more sources

MOFs and COFs in Electronics: Bridging the Gap between Intrinsic Properties and Measured Performance

Advanced Functional Materials, EarlyView.
Metal‐organic frameworks (MOFs) and covalent organic frameworks (COFs) hold promise for advanced electronics. However, discrepancies in reported electrical conductivities highlight the importance of measurement methodologies. This review explores intrinsic charge transport mechanisms and extrinsic factors influencing performance, and critically ...
Jonas F. Pöhls, R. Thomas Weitz
wiley   +1 more source

Halogen Bonding Involving CO and CS with Carbon as the Electron Donor

Molecules, 2017
MP2/aug’-cc-pVTZ calculations have been carried out to investigate the halogen-bonded complexes formed when CO and CS act as electron-pair donors through C to ClF, ClNC, ClCl, ClOH, ClCN, ClCCH, and ClNH2.
Janet E. Del Bene, Ibon Alkorta, José Elguero   +2 more
doaj   +1 more source

Halogen Bonding in Crystal Engineering [PDF]

Acta Crystallographica Section A Foundations of Crystallography, 2005
The term halogen bonding encompasses any non-covalent interaction involving halogens as electrophilic species. High strength and directionality are the remarkable features of halogen bonding that fully justify its use as a primary intermolecular interaction to dictate molecular self-assembly processes.
METRANGOLO, PIERANGELO, T. Pilati, RESNATI, GIUSEPPE, URSINI, MAURIZIO   +3 more
openaire   +8 more sources

Covalent Organic Frameworks for Photocatalytic CO2 Reduction: Metal Integration Principles, Strategies and Functions

Advanced Functional Materials, EarlyView.
Covalent organic frameworks (COFs) with metals have been recognized as versatile platforms for photocatalytic CO2 reduction (CO2PRR). Herein, an overview of metal integration strategies for COFs is systematically summarized. Regulatory mechanisms and structure–activity relationships between metal integration and COF‐based CO2PRR are emphasized.
Jie He, Minxian Zhang, Jinqiang Zhang, Hongqi Sun, Shaobin Wang, Xiaoguang Duan   +5 more
wiley   +1 more source

Halogen bonding regulated functional nanomaterials

Nanoscale Advances, 2021
Herein, the latest development of XB as a flexible linkage to fabricate functional nanomaterials in liquid and solution phases will be discussed, taking readers through the concept and features of XB to explore its functionalities and applications.
Jie Zheng, Ady Suwardi, Claris Jie Ee Wong, Xian Jun Loh, Zibiao Li   +4 more
openaire   +3 more sources

Trifluoromethoxylated Electron Acceptor Enabling Ternary Organic Solar Cells with over 20% Power Conversion Efficiency

Advanced Functional Materials, EarlyView.
ABSTRACT In this work, we introduce a trifluoromethoxy (OCF3) group as a pseudo‐halogen terminal group design for non‐fullerene acceptors, which combines strong inductive electron‐withdrawing ability with moderate resonance donation. The as‐synthesized BTP‐OCF3, when benchmarked against its methoxy analogue BTP‐OCH3, demonstrates narrowed bandgap ...
Chunliang Li, Anhai Liang, Shuwei Qiu, Gavin Ho Ming Ng, Aleksandr Sergeev, Joshua Yuk Lin Lai, Bosen Zou, Xianghao Zeng, Jicheng Yi, Hongxiang Li, Junpo Guo, Wei Liu, Jia Yao, Kam Sing Wong, Zhipeng Kan, Sai Ho Pun, He Yan   +16 more
wiley   +1 more source

Charge-Shift Bonding Propensity in Halogen-Bonded BXY (B Is a Small Lewis Base H₂O or NH₃; X and Y Are Halogen Atoms) Complexes: An NBO/NRT/AIM Investigation

Molecules, 2023
Charge-shift (CS) bonding is a new bonding paradigm in the field of chemical bonds. Our recent study has revealed that certain Cu/Ag/Au-bonds display both CS bonding and ω-bonding characters. In this investigation, we extend our study to halogen bonding.
Junjie Song, Mengyang Wang, Xiaocheng Xu, Qinghao Shao, Ying Zhao, Guiqiu Zhang, Nan Sun   +6 more
doaj   +1 more source

Halide‐Dependent Photoluminescence and Heavy‐Atom Effects in Low‐Melting Organic–Inorganic Manganese Halides

Advanced Functional Materials, EarlyView.
Two pyridinium‐based ionic liquid templated hybrid manganese halides, (C4Py)2[MnCl4] and (C4Py)2[MnBr4], display similar bulk structures but show significantly different photoluminescence behaviors due to the bromine heavy‐atom effect. Their stable local Mn environments remain intact even in the molten state, allowing applications such as luminescence ...
Biswajit Bhattacharyya, Christian Balischewski, Jiyong Kim, Tiago Duarte, Lianshe Fu, Rute A.S. Ferreira, Alkit Beqiraj, Iuliia Mikulska, Diego Gianolio, Eric Sperlich, Felix Stete, Wouter Koopman, Christina Günter, Katlen Brennenstuhl, Daniel Van Opdenbosch, Cordt Zollfrank, Armin Wedel, Beth J. Murray, Małgorzata Swadźba‐Kwaśny, Tillmann Klamroth, Michael U. Kumke, Verónica de Zea Bermudez, Andreas Taubert   +22 more
wiley   +1 more source

The Role of Halogen Bonding in Controlling Assembly and Organization of Cu(II)-Acac Based Coordination Complexes

Crystals, 2017
In order to explore the use of non-covalent interactions in the deliberate assembly of metal-supramolecular architectures, a series of β-diketone based ligands capable of simultaneously acting as halogen-bond donors and chelating ligands were synthesized.
Janaka C. Gamekkanda, Abhijeet S. Sinha, John Desper, Marijana Ðaković, Christer B. Aakeröy   +4 more
doaj   +1 more source