6533b85bfe1ef96bd12bb701

RESEARCH PRODUCT

Concerted halogen and hydrogen bonding in [RuI2(H2dcbpy)(CO)2]···I2···(CH3OH)···I2···[RuI2(H2dcbpy)(CO)2].

Kari RissanenArto ValkonenMatti TuikkaPipsa HirvaMika NiskanenMatti Haukka

subject

Hydrogen bondMetals and AlloysCharge densityGeneral ChemistrySolid state structureCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialslaw.inventionchemistry.chemical_compoundCrystallographychemistryComputational chemistrylawHalogenMaterials ChemistryCeramics and CompositesMoleculeMethanolCrystallizationSingle crystalta116

description

A new type of concerted halogen bond-hydrogen bond interaction was found in the solid state structure of [RuI(2)(H(2)dcbpy)(CO)(2)]···I(2)···(MeOH)···I(2)···[RuI(2)(H(2)dcbpy)(CO)(2)]. The iodine atoms of the two I(2) molecules interact simultaneously with each other and with the OH group of methanol of crystallization. The interaction was characterized by single crystal X-ray measurements and by computational charge density analysis based on DFT calculations.

yearjournalcountryeditionlanguage
2011-02-03Chemical communications (Cambridge, England)
10.1039/c0cc05726fhttps://pubmed.ncbi.nlm.nih.gov/21286640