The borylamino-diborata-allyl anion

Area of Science:

• Organometallic Chemistry
• Boron Chemistry
• Main Group Chemistry

Background:

• Alkaline earth metal complexes with beta-diketiminate ligands offer unique reactivity.
• Organoboron compounds are crucial in synthesis and materials science.
• Understanding B-C bond activation is key to novel transformations.

Purpose of the Study:

• To synthesize unprecedented diborata-allyl anions from alkaline earth metal alkyldiboranate derivatives.
• To explore the reactivity of magnesium triboranates with isonitriles.
• To elucidate the reaction mechanism and intermediates involved in these transformations.

Main Methods:

• Synthesis of alkaline earth metal beta-diketiminate alkyldiboranate complexes.
• Reaction of these complexes with tert-butyl isocyanide (t-BuNC).
• Spectroscopic characterization and DFT calculations to study reaction pathways.

Main Results:

• Access to novel diborata-allyl anions, {(pinB)2CNBpin(t-Bu)}-, from Mg and Ca complexes.
• Development of a general synthetic route to analogous anionic moieties using magnesium triboranates.
• Identification of an isomeric Mg-C-bonded dibora-alkyl species and support for a proposed reaction mechanism via DFT calculations.

Conclusions:

• The reactions provide a versatile method for accessing diborata-allyl anions.
• The study reveals insights into B-C bond cleavage and organoboron reactivity.
• DFT calculations support a mechanism involving isocyanide attack at a peripheral boron center.