Results 61 to 70 of about 68,348 (275)
Halogenation effects in Intramolecular Furan Diels-Alder reactions:broad scope synthetic and computational studies [PDF]
, 2013 For the first time a comprehensive synthetic and computational study of the effect of halogen substitution on both furan and dienophile for the intramolecular Furan Diels-Alder (IMDAF) reaction has been undertaken.
Bebbington, Magnus William Paul +3 more
core +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
Selective Adsorption of a Supramolecular Structure on Flat and Stepped Gold Surfaces
, 2017 Halogenated aromatic molecules assemble on surfaces forming both hydrogen and halogen bonds. Even though these systems have been intensively studied on flat metal surfaces, high-index vicinal surfaces remain challenging, as they may induce complex ...
Donadio, Davide, Peköz, Rengin
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Numerical Exploration of Thermal Shock Resistance in MgO–C Refractories
Advanced Engineering Materials, EarlyView.A mesostructure‐resolved numerical framework is developed to evaluate the thermal shock resistance of MgO–C refractories. By modeling interface debonding under rapid temperature changes and introducing a modified thermal shock parameter that accounts for mesocracks, the study shows how graphite content and aggregate size influence thermal shock ...
Jishnu Vinayak Gopi +3 more
wiley +1 more source
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 +4 more
doaj +1 more source
NX⋯Y halogen bonds. Comparison with NH⋯Y H-bonds and CX⋯Y halogen bonds
Physical Chemistry Chemical Physics, 2016 Quantum calculations examine how the NH⋯Y H-bond compares to the equivalent NX⋯Y halogen bond, as well as to comparable CH/CX donors.
Nepal, Binod, Scheiner, Steve
openaire +5 more sources
Hydrogen bonding vs. halogen bonding: the solvent decides [PDF]
Chemical Science, 2017 Choice of solvent is used to direct the formation of either hydrogen bonds or halogen bonds in competitive self-assembly.
Craig. C. Robertson +5 more
openaire +5 more sources
Photoswitching Conduction in Framework Materials
Advanced Functional Materials, EarlyView.This mini‐review summarizes recent advances in state‐of‐the‐art proton and electron conduction in framework materials that can be remotely and reversibly switched on and off by light. It discusses the various photoswitching conduction mechanisms and the strategies employed to enhance photoswitched conductivity.
Helmy Pacheco Hernandez +4 more
wiley +1 more source
Crystal structures and Hirshfeld analysis of 4,6-dibromoindolenine and its quaternized salt
Acta Crystallographica Section E: Crystallographic Communications, 2021 4,6-Dibromo-2,3,3-trimethyl-3H-indole, C11H11Br2N, exists as a neutral molecule in the asymmetric unit. The asymmetric unit of 4,6-dibromo-2,3,3-trimethyl-3H-indol-1-ium iodide, C12H14Br2N+·I−, contains one organic cation and one iodine anion.
Irina S. Konovalova +4 more
doaj +1 more source
Rational design of super-alkalis and their role in CO2 activation [PDF]
, 2017 Super-alkalis are clusters of atoms. With ionization potentials smaller than those of the alkali atoms, they are playing an increasing role in chemistry as highlighted by recent applications in solar cells as well as in Li-ion batteries.
Jena, Puru, Wang, Qian, Zhao, Tianshan
core +3 more sources