4.7 Article

Concerted halogen and hydrogen bonding in [RuI2(H(2)dcbpy)(CO)(2)]center dot center dot center dot I-2 center dot center dot center dot(CH3OH)center dot center dot center dot I-2 center dot center dot center dot[RuI2(H(2)dcbpy)(CO)(2)]

Journal

CHEMICAL COMMUNICATIONS
Volume 47, Issue 12, Pages 3427-3429

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c0cc05726f

Keywords

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Funding

  1. Academy of Finland [KR 212588, 218325, PH 129772, MH 129171]
  2. ESF

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A new type of concerted halogen bond-hydrogen bond interaction was found in the solid state structure of [RuI2(H(2)dcbpy)(CO)(2)] center dot center dot center dot I-2 center dot center dot center dot (CH3OH) center dot center dot center dot I-2 center dot center dot center dot [RuI2(H(2)dcbpy)(CO)(2)]. The iodine atoms of the two I2 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.

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