A New Class of Neutral Boron-Based Diradicals Spanned by a Two-Carbon-Atom Bridge
| Autor: | Regina Drescher, Rian D. Dewhurst, Bernd Engels, Eileen Welz, Andrea Deissenberger, Holger Braunschweig, Ivo Krummenacher |
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| Rok vydání: | 2018 |
| Předmět: |
chemistry.chemical_classification
Carbon atom Materials science 010405 organic chemistry chemistry.chemical_element General Chemistry 010402 general chemistry 01 natural sciences Bridge (interpersonal) Catalysis 0104 chemical sciences chemistry.chemical_compound Delocalized electron Crystallography chemistry Lewis acids and bases Physics::Chemical Physics Boron Spin (physics) Carbene Alkyl |
| Zdroj: | Angewandte Chemie (International ed. in English). 58(6) |
| ISSN: | 1521-3773 |
| Popis: | A new structural class of boron-based diradicals is prepared by Lewis base addition to and reduction of singly cyclic (alkyl)(amino)carbene (CAAC) stabilised diborylalkenes. The diradicals feature a perpendicular olefinic bridge preventing delocalization between the B(CAAC) π systems, making the coupling between the spin centres very weak. DFT calculations indicate that the compounds are ground-state (open-shell) singlets, with triplet states negligibly higher in energy, thus making the triplet states easily populated thermally. |
| Databáze: | OpenAIRE |
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