Reaching the maximum multiplicity of the covalent chemical bond

Björn O. Roos, Antonio C. Borin, Laura Gagliardi

Research output: Contribution to journalArticlepeer-review

223 Scopus citations

Abstract

(Graph Presented) Maxing out at six: The maximum bond order that can be achieved between two equal atoms in the periodic system is six. The picture shows the potential energy curves for the diatoms Cr2, Mo 2, and W2, where the latter two are sextuply bonded molecules (d = internuclear distance in atomic units).

Original languageEnglish (US)
Pages (from-to)1469-1472
Number of pages4
JournalAngewandte Chemie - International Edition
Volume46
Issue number9
DOIs
StatePublished - 2007

Keywords

  • Ab initio calculations
  • Actinides
  • Bond theory
  • Multiple bonds
  • Quantum chemistry

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