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Issue 6, 2015
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Halogen bonds with coordinative nature: halogen bonding in a S–I+–S iodonium complex

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Abstract

A detailed study of unexpectedly strong iodonium–sulfur halogen bonds in [I(2-imidazolidinethione)2]+ is presented. The interactions are characterized by single-crystal X-ray diffraction, charge density analysis based on QTAIM calculations, mass spectrometry, and NMR spectroscopy. The results, small RIS = 0.7 and high interaction energy of −60 kJ mol−1, support a coordinative nature of the halogen bond between the iodonium ion and the sp2 hybridized sulfur atoms.

Graphical abstract: Halogen bonds with coordinative nature: halogen bonding in a S–I+–S iodonium complex

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Supplementary files

Article information


Submitted
23 Aug 2014
Accepted
17 Oct 2014
First published
17 Oct 2014

CrystEngComm, 2015,17, 1231-1236
Article type
Communication
Author version available

Halogen bonds with coordinative nature: halogen bonding in a S–I+–S iodonium complex

L. Koskinen, P. Hirva, E. Kalenius, S. Jääskeläinen, K. Rissanen and M. Haukka, CrystEngComm, 2015, 17, 1231
DOI: 10.1039/C4CE01735H

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