Organic Dications: Gas Phase Experiments and Theory in Concert

Koop Lammertsma, Paul von Ragué Schleyer, Helmut Schwarz

Research output: Contribution to journalReview articlepeer-review

158 Citations (Scopus)


Knowledge of structure and bonding are integral parts in the understanding of the chemistry of neutral, radicaloid and positively or negatively charged species. The interplay of molecular bonding and the inherent electrostatic repulsion in doubly‐charged molecules expands our insight in the versatility of bonding in electron deficient molecules. Small organic dications are now routinely detected in the gas phase by a variety of mass spectrometric techniques. Ab initio molecular orbital theory has advanced to the stage of accurately predicting potential energy surfaces. This review highlights the symbiotic relationship between gas‐phase ion and computational studies and gives a rationale for the salient bonding features in doubly‐charged organic cations.

Original languageEnglish
Pages (from-to)1321-1341
Number of pages21
JournalAngewandte Chemie - International Edition
Issue number10
Publication statusPublished - Oct 1989
Externally publishedYes


  • Ab initio calculations
  • Bond theory
  • Cations
  • Dications
  • Mass spectrometry
  • Radical ions

ASJC Scopus subject areas

  • Catalysis
  • General Chemistry


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