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Symmetry of [N-X-N]+ Halogen Bonds in Solution

Carlsson, Anna-Carin, 1976 (author)
Gothenburg University,Göteborgs universitet,Institutionen för kemi och molekylärbiologi,Department of Chemistry and Molecular Biology,Department of Chemistry and the Swedish NMR Centre, University of Gothenburg, Sweden
Gräfenstein, Jürgen, 1963 (author)
Gothenburg University,Göteborgs universitet,Institutionen för kemi och molekylärbiologi,Department of Chemistry and Molecular Biology,Department of Chemistry and the Swedish NMR Centre, University of Gothenburg, Sweden
Laurila, Jesse (author)
Gothenburg University,Göteborgs universitet,Institutionen för kemi och molekylärbiologi,Department of Chemistry and Molecular Biology,Department of Chemistry and the Swedish NMR Centre, University of Gothenburg, Sweden
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Bergquist, Jonas (author)
Uppsala universitet,Analytisk kemi
Erdelyi, Mate, 1975 (author)
Gothenburg University,Göteborgs universitet,Institutionen för kemi och molekylärbiologi,Svenskt NMR-centrum vid Göteborgs universitet,Department of Chemistry and Molecular Biology,Swedish NMR Centre at Göteborg University,Department of Chemistry and the Swedish NMR Centre, University of Gothenburg, Sweden
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 (creator_code:org_t)
2012
2012
English.
In: Chemical Communications. - 1364-548X .- 1359-7345. ; 48:10, s. 1458-1460
  • Journal article (peer-reviewed)
Abstract Subject headings
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  • The first investigation of halogen bond symmetry is presented. In contrast to related hydrogen bonds, the iodous halogen bond is symmetric in solution and in the crystal. The bromous analogue is symmetric in solution, but shows asymmetry in the solid state. NMR results are in agreement with DFT predictions.

Subject headings

NATURVETENSKAP  -- Kemi -- Organisk kemi (hsv//swe)
NATURAL SCIENCES  -- Chemical Sciences -- Organic Chemistry (hsv//eng)
NATURVETENSKAP  -- Kemi (hsv//swe)
NATURAL SCIENCES  -- Chemical Sciences (hsv//eng)

Keyword

halogen bonding
NMR

Publication and Content Type

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art (subject category)

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