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Issue 12, 2011
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Concerted halogen and hydrogen bonding in [RuI2(H2dcbpy)(CO)2]⋯I2⋯(CH3OH)⋯I2⋯[RuI2(H2dcbpy)(CO)2]

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A new type of concerted halogen bond–hydrogen bond interaction was found in the solid state structure of [RuI2(H2dcbpy)(CO)2]⋯I2⋯(MeOH)⋯I2⋯[RuI2(H2dcbpy)(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.

Graphical abstract: Concerted halogen and hydrogen bonding in [RuI2(H2dcbpy)(CO)2]⋯I2⋯(CH3OH)⋯I2⋯[RuI2(H2dcbpy)(CO)2]

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Article information

22 Dec 2010
13 Jan 2011
First published
02 Feb 2011

Chem. Commun., 2011,47, 3427-3429
Article type

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

M. Tuikka, M. Niskanen, P. Hirva, K. Rissanen, A. Valkonen and M. Haukka, Chem. Commun., 2011, 47, 3427
DOI: 10.1039/C0CC05726F

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