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
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Halogen Bonding in Nucleic Acid Complexes
, 2017 Halogen bonding (X-bonding) has attracted notable attention among noncovalent interactions. This highly directional attraction between a halogen atom and an electron donor has been exploited in knowledge-based drug design. A great deal of information has
Kolář, Michal H., Tabarrini, Oriana
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Experimental structure determination of the chemisorbed overlayers of chlorine and iodine on Au{111} [PDF]
, 2010 We have performed an experimental structure determination of the ordered p(sqrt[3] x sqrt[3])R30 degrees structures of chlorine and iodine on Au{111} using low-energy electron diffraction (LEED).
Dhanak, V.R., Held, Georg, Zheleva, Z.V.
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Competition between chalcogen bond and halogen bond interactions in YOX4:NH3 (Y = S, Se; X = F, Cl, Br) complexes: An ab initio investigation [PDF]
, 2016 Using ab initio calculations, the geometries, interaction energies and bonding properties of chalcogen bond and halogen bond interactions between YOX4 (Y = S, Se; X = F, Cl, Br) and NH3 molecules are studied. These binary complexes are formed through the
Asadollahi, S. +2 more
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Halogen Bonding in Two‐Dimensional Crystal Engineering
ChemistryOpen, 2020 Halogen bonds, which provide an intermolecular interaction with moderate strength and high directionality, have emerged as a promising tool in the repertoire of non‐covalent interactions.
Dr. Joan Teyssandier +2 more
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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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. +7 more
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Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding [PDF]
, 2020 Scanning tunnelling microscopy (STM) is commonly used to identify on-surface molecular self-assembled structures. However, its limited ability to reveal only the overall shape of molecules and their relative positions is not always enough to fully solve ...
Bonifazi, Davide +5 more
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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 +1 more
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an ion mobility-mass spectrometry study [PDF]
, 2018 Coordinative halogen bonds have recently gained interest for the assembly of supramolecular capsules. Ion mobility-mass spectrometry and theoretical calculations now reveal the well-defined gas-phase structures of dimeric and hexameric [N⋯I+⋯N] halogen ...
Hoffmann, Waldemar +6 more
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