Results 91 to 100 of about 1,415,920 (286)
Molecules, 2022 The work carried out by our research group over the last couple of decades in the context of quantitative crystal engineering involves the analysis of intermolecular interactions such as carbon (tetrel) bonding, pnicogen bonding, chalcogen bonding, and ...
Sajesh P. Thomas +6 more
doaj +1 more source
Insights into enzymatic halogenation from computational studies [PDF]
, 2014 The halogenases are a group of enzymes that have only come to the fore over the last 10 years thanks to the discovery and characterization of several novel representatives.
Senn, Hans M.
core +2 more sources
Halogen Bonding Beyond Crystals in Materials Science.
Journal of Physical Chemistry B, 2019 The halogen bonding has recently gained well deserved attention in present-day research for its importance in many fields of supramolecular science and crystal engineering.
Marco Saccone, Luca Catalano
semanticscholar +1 more source
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 +5 more
wiley +1 more source
High Entropy Wide‐Bandgap Borates with Broadband Luminescence and Large Nonlinear Optical properties
Advanced Functional Materials, EarlyView.High‐entropy rare‐earth borates exhibit excellent nonlinear optical and broadband luminescence properties arising from multi‐component doping, chemical disorder, increased configurational entropy, and increased lattice and electronic anharmonicity. This formulation enabled us to obtain a large, environmentally stable single crystal with 3X higher laser‐
Saugata Sarker +14 more
wiley +1 more source
Halogen and Hydrogen Bonding Benzothiophene Diol Derivatives: A Study Using ab initio Calculations and XRay Crystal Structure Measurements [PDF]
, 2014 The aim of this study is to describe and compare the supramolecular interactions, in the solid state, of chloro-, bromo-, and iodobenzothiophene diols.
Claudia, Fattuoni +6 more
core +1 more source
Halogen bonding as a supramolecular dynamics catalyst
Nature Communications, 2019 Dynamic processes have many implications in functional molecules, including catalysts, enzymes, host-guest complexes, and molecular machines. Here, we demonstrate via deuterium NMR relaxation experiments how halogen bonding directly impacts the dynamics ...
Patrick M. J. Szell +2 more
semanticscholar +1 more source
Beyond the Edge: Charge‐Transfer Excitons in Organic Donor‐Acceptor Cocrystals
Advanced Functional Materials, EarlyView.Complex excitonic landscapes in acene–perfluoroacene cocrystals are unveiled by polarization‐resolved optical spectroscopy and many‐body theory. This systematic study of a prototypical model system for weakly interacting donor–acceptor compounds challenges common views of charge‐transfer excitons, providing a refined conceptual framework for ...
Sebastian Anhäuser +6 more
wiley +1 more source
THE SPECTROSCOPY OF CRYSTAL DEFECTS - A COMPENDIUM OF DEFECT NOMENCLATURE [PDF]
, 2002 The authors bring together tables of current defect nomenclature and a summary of the rules actually practised (rather than idealised schemes) in choosing such labels for signals obtained with a range of spectroscopies.
BRIDGES, F +3 more
core +1 more source
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 +16 more
wiley +1 more source