Electron density and bonding at inverted carbon atoms: An experimental study of a [1.1.1]propellane derivative

Marc Messerschmidt, Stephan Scheins, Lutz Grubert, Michael Pätzel, Günter Szeimies, Carsten Paulmann, Peter Luger

Research output: Contribution to journalArticlepeer-review

60 Scopus citations

Abstract

Synchrotron radiation was required for high-resolution diffraction experiments to determine the electron density and analyze the topology of a new [1.1.1]propellane derivative. A bond path with a bond critical point of significant electron density was found between the "inverted" bridgehead atoms C4⋯C4a (see picture), which is characteristic for a covalent bond; however, no charge accumulation at the bond critical point was seen. (Chemical Equation Presented)

Original languageEnglish (US)
Pages (from-to)3925-3928
Number of pages4
JournalAngewandte Chemie - International Edition
Volume44
Issue number25
DOIs
StatePublished - Jun 20 2005
Externally publishedYes

Keywords

  • Density functional calculations
  • Electron density
  • Propellanes
  • Solid-state structures
  • Strained molecules

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

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