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• Froschauer, C
• Kahlenberg, V
• Laus, G
• Schottenberger, H
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• Kahlenberg, V
• Laus, G
• Schottenberger, H
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• Kahlenberg, V
• Laus, G
• Schottenberger, H

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Crystals 2012, 2(3), 1017-1033; doi:10.3390/cryst2031017

Article

Halogen Interactions in 2,4,5-Tribromoimidazolium Salts

Carmen Froschauer ^1,2 , Volker Kahlenberg ³ , Gerhard Laus ^1,*  and Herwig Schottenberger ¹

¹ Faculty of Chemistry and Pharmacy, University of Innsbruck, 6020 Innsbruck, Austria ² Competence Center of Wood Composites and Wood Chemistry K-Plus, 4021 Linz, Austria ³ Institute of Mineralogy and Petrography, University of Innsbruck, 6020 Innsbruck, Austria

* Author to whom correspondence should be addressed.

Received: 22 May 2012; in revised form: 18 June 2012 / Accepted: 28 June 2012 / Published: 27 July 2012

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Abstract: The crystal structures of 2,4,5-tribromo-1-(prop-2-ynyl)imidazole and seven new 1,3-dialkyl-2,4,5-tribromoimidazolium salts (R¹ = propenyl, propynyl, dibromopropenyl; R² = Me, Et) with halogen-containing anions (tetrafluoroborate, hexafluorophosphate, triflimide) were determined. The structures revealed halogen...halogen and anion...π interactions. Contacts of the type Br...Br, Br...F, Br...O, Br...N, F...F, H...Br, H...F, F...π and O...π were identified. Specific interactions were quantified by Hirshfeld surface analysis.

Keywords: bromine; fluorine; halogen interaction; Hirshfeld surface analysis; imidazole

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