Design optimization of 1,3-diphospha-2,4-diboretane diradicals

Mark Seierstad, Christopher R. Kinsinger, Christopher J. Cramer

Research output: Contribution to journalArticlepeer-review

46 Scopus citations

Abstract

Substantial control over frontier orbital splittings in 1,3-diphospha-2,4-diboretanes can be achieved by variation of phosphorus substituents R, thereby enhancing diradical character (see scheme; e.g. R = SiMe3, R′ = tBu).

Original languageEnglish (US)
Pages (from-to)3894-3896
Number of pages3
JournalAngewandte Chemie - International Edition
Volume41
Issue number20
DOIs
StatePublished - Oct 18 2002

Keywords

  • Density functional calculations
  • Electronic structure
  • Phosphorus heterocycles
  • Radicals
  • Singlet-triplet splitting

Fingerprint Dive into the research topics of 'Design optimization of 1,3-diphospha-2,4-diboretane diradicals'. Together they form a unique fingerprint.

Cite this