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The homotropenylium cation : a system with a pinched π ring current

The homotropenylium cation (1, C8H9+) is a key species in the discussion of homoaromaticity. Constrained optimisations around the minimum structure have been performed, varying the size of the gap spanned by the CH2-bridge and optimising all other geometrical parameters. At each bridging distance, a... Full description

Journal Title: PHYSICAL CHEMISTRY CHEMICAL PHYSICS 2014
Main Author: Lillington, Mark
Other Authors: Havenith, Remco , Fowler, Patrick W , Baker, Jon , Jenneskens, Leonardus W
Format: Electronic Article Electronic Article
Language: English
Subjects:
Created: 2014
ID: ISSN: 1463-9076 ; DOI: 10.10.9/c4cp010.5b
Zum Text:
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recordid: ghent5782570
title: The homotropenylium cation : a system with a pinched π ring current
format: Article
creator:
  • Lillington, Mark
  • Havenith, Remco
  • Fowler, Patrick W
  • Baker, Jon
  • Jenneskens, Leonardus W
subjects:
  • Chemistry
  • Molecules
  • Aromaticity
  • Ab-Initio
  • Chemical-Shifts
  • Electronic-Structure
  • Current Densities
  • Magnetic-Properties
  • Homoaromaticity
  • Hydrocarbons
  • Nonplanar
ispartof: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2014
description: The homotropenylium cation (1, C8H9+) is a key species in the discussion of homoaromaticity. Constrained optimisations around the minimum structure have been performed, varying the size of the gap spanned by the CH2-bridge and optimising all other geometrical parameters. At each bridging distance, ab...
language: eng
source:
identifier: ISSN: 1463-9076 ; DOI: 10.10.9/c4cp010.5b
fulltext: fulltext_linktorsrc
issn:
  • 1463 9076
  • 1463-9076
url: Link


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identifier ISSN: 1463-9076 ; DOI: 10.10.9/c4cp010.5b
subjectChemistry ; Molecules ; Aromaticity ; Ab-Initio ; Chemical-Shifts ; Electronic-Structure ; Current Densities ; Magnetic-Properties ; Homoaromaticity ; Hydrocarbons ; Nonplanar
descriptionThe homotropenylium cation (1, C8H9+) is a key species in the discussion of homoaromaticity. Constrained optimisations around the minimum structure have been performed, varying the size of the gap spanned by the CH2-bridge and optimising all other geometrical parameters. At each bridging distance, ab...
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abstractThe homotropenylium cation (1, C8H9+) is a key species in the discussion of homoaromaticity. Constrained optimisations around the minimum structure have been performed, varying the size of the gap spanned by the CH2-bridge and optimising all other geometrical parameters. At each bridging distance, ab...
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