Conformational behavior of 3-borabicyclo[3.3.1]nonanes: 1. Study of molecular dynamics in 3-methoxy-7α-phenyl-1,5-dimethyl-3-borabicyclo[3.3.1]nonane

Mikhail E. Gurskii, Ilya D. Gridnev, Yuri N. Bubnov, Andrew Pelter, Paul Rademacher

Research output: Contribution to journalArticlepeer-review


3-Methoxy-7α-phenyl-1,5-dimethyl-3-borabicyclo[3.3.1]nonane 5 in solution at room temperature exists in the double chair conformation, as shown by NMR studies. Increasing the temperature leads to an increase in the population of the chair-boat conformation. At decreased temperature hindered rotation around the B-O bond is observed for 5. Dissolving 5 in deuteropyridine leads to the reversible formation of complex 6, which exists in the chair-boat conformation. The chair-boat conformation is also the most stable one for chelate compound 7 with a tetracoordinated boron atom.

Original languageEnglish
Pages (from-to)227-233
Number of pages7
JournalJournal of Organometallic Chemistry
Issue number2
Publication statusPublished - 1999 Nov 30
Externally publishedYes


  • 3-Borabicyclo[3.3.1]nonanes
  • Conformation
  • Molecular dynamics

ASJC Scopus subject areas

  • Biochemistry
  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry
  • Materials Chemistry


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