Strained azabora[2]ferrocenophanes

Area of Science:

• Organometallic Chemistry
• Inorganic Chemistry
• Supramolecular Chemistry

Background:

• Ferrocenophanes are organometallic compounds with unique structural and electronic properties.
• Bridging groups in ferrocenophanes significantly influence their strain and reactivity.
• Unsaturated moieties offer potential for further chemical transformations.

Purpose of the Study:

• To synthesize and characterize novel [2]ferrocenophanes incorporating unsaturated boron-nitrogen (BN) moieties.
• To investigate the structural and electronic properties of these new compounds.
• To compare the strain of these novel ferrocenophanes with existing analogues.

Main Methods:

• Synthesis of three novel [2]ferrocenophane derivatives.
• Structural characterization using X-ray crystallography and NMR spectroscopy.
• Density Functional Theory (DFT) calculations to assess strain and electronic structure.

Main Results:

• Successful synthesis and full structural characterization of three azabora[2]ferrocenophanes.
• Demonstration of unsaturated BN moieties at bridging positions.
• DFT calculations indicate strain levels comparable to dimethylsilyl-bridged [1]ferrocenophane.

Conclusions:

• The study presents the first examples of azabora[2]ferrocenophanes.
• These compounds represent a new class of strained organometallic frameworks.
• The findings provide a foundation for exploring the chemistry of BN-containing ferrocenophanes.