title: Concerted halogen and hydrogen bonding in [RuI2(H2dcbpy)(CO)2]···I2···(CH3OH)···I2···[RuI2(H2dcbpy)(CO)2].
abstract: 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.
authors.affiliation: Department of Chemistry, University of Eastern Finland, P.O. Box 111, FI-80101 Joensuu, Finland.
authors.forename: Matti
authors.initials: M
authors.lastname: Tuikka
authors.forename: Mika
authors.initials: M
authors.lastname: Niskanen
authors.forename: Pipsa
authors.initials: P
authors.lastname: Hirva
authors.forename: Kari
authors.initials: K
authors.lastname: Rissanen
authors.forename: Arto
authors.initials: A
authors.lastname: Valkonen
authors.forename: Matti
authors.initials: M
authors.lastname: Haukka