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Versatile CO2 Transformations into Complex Products: A One-pot Two-step Strategy
Published on: November 9, 2019
Carbodiborylenes: Computational Discovery of 1,3-Diboraallenes Capable of Multiple Complexation of CO2 and CS2
Barsha Chakraborty1, Antarik Parashar1, Ashwini K Phukan1
1Department of Chemical Sciences, Tezpur University, Napaam 784028 Assam, India.
Abstract:
In this work, we provide computational evidence for the possible existence of metal-free diboraallenes in which the central carbon atom is supported by two base-stabilized borylenes. An evaluation of their proton affinity values and binding with AuCl suggests that they possess hidden C(0) character and hence can also be termed as 'carbodiborylenes'. Owing to the presence of two lone pairs at the central carbon atom and vacant orbitals at the boron as well as carbenic carbon of the neighboring borylenes, these compounds demonstrate ambiphilic reactivity. Calculations suggest that the proposed compounds not only are capable of activating inert bonds such as the N-H bond of ammonia but also hold promise for multiple complexation of CO2 and CS2.
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