RESUMEN
In the title adduct, C5H5N·I2, the N-I distance [2.424â (8)â Å] is remarkably shorter than the sum of the van der Waals radii. The line through the I atoms forms an angle of 78.39â (16)° with the normal to the pyridine ring.
RESUMEN
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.
RESUMEN
The halogen bonding between [Ru(dcbpy)(2)(SCN)(2)] dye and I(2) molecule has been studied. The ruthenium complex forms a stable [Ru(dcbpy)(2)(SCN)(2)]···I(2)·4(CH(3)OH) adduct via S···I interaction between the thiocyanate ligand and the I(2) molecule. The adduct can be seen as a model for one of the key intermediates in the regeneration cycle of the oxidized dye by the I(-)/I(3)(-) electrolyte in dye sensitized solar cells.