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Boron-Metallated Borirenes and Bis(Borirenes)
Holger Braunschweig1, Mehmet Ali Celik2, Rian D Dewhurst2
1Institut für Anorganische Chemie, Julius-Maximilians-Universität Würzburg, Am Hubland, 97074, Würzburg, Germany. h.braunschweig@uni-wuerzburg.de.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|May 10, 2016
Summary
Researchers developed a new method to synthesize B-metallated borirenes using a metalloborylene complex. This protocol allows for the creation of diverse borirene structures with varying substituents, explained by computational analysis.
Area of Science:
- Organometallic Chemistry
- Boron Chemistry
- Coordination Chemistry
Background:
- Metalloborylene complexes are reactive intermediates.
- Borirenes are strained boron-containing heterocycles.
- Synthesis of functionalized borirenes remains challenging.
Purpose of the Study:
- To develop a novel synthetic route to B-metallated borirenes.
- To prepare and characterize a range of substituted B-metallated borirenes.
- To investigate the electronic and structural properties of these novel compounds.
Main Methods:
- Reaction of a specific iron-chromium metalloborylene complex with alkynes and diynes.
- Spectroscopic analysis (NMR, IR, UV-Vis).
- Single-crystal X-ray diffraction.
- Computational studies (Density Functional Theory).
Main Results:
- Successful synthesis of B-metallated borirenes and a bis(B-metallated borirene) via metalloborylene transfer.
- Preparation of diverse borirenes with electron-donating and electron-withdrawing groups.
- Structural and electronic characterization confirmed the proposed structures.
- Time-dependent DFT calculations explained the observed yellow-orange color.
Conclusions:
- A versatile protocol for synthesizing B-metallated borirenes has been established.
- The synthesized compounds exhibit tunable electronic properties based on substituents.
- Computational methods provide insights into structure-property relationships and electronic transitions.
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