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

Matti Tuikka; Mika Niskanen; Pipsa Hirva; Kari Rissanen; Arto Valkonen; Matti Haukka

doi:10.1039/c0cc05726f

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

Chem Commun (Camb). 2011 Mar 28;47(12):3427-9. doi: 10.1039/c0cc05726f. Epub 2011 Feb 2.

Authors

Matti Tuikka¹, Mika Niskanen, Pipsa Hirva, Kari Rissanen, Arto Valkonen, Matti Haukka

Affiliation

¹ Department of Chemistry, University of Eastern Finland, P.O. Box 111, FI-80101 Joensuu, Finland.

PMID: 21286640
DOI: 10.1039/c0cc05726f

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.