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Curved Carbon Skeleton in Oriented External Electric Fields: Modulated Curvature, Directional Bowl Inversion, and Face-Selective Cycloadditions of Corannulene.

Wei-Wei WangFu-Lin ShangXiang Zhao
Published in: Organic letters (2020)
We introduced the oriented-external-electric-field-induced modification of bowl-shaped corannulene using density functional theory calculations. The results show that the electric field is capable of significantly modulating the polarization and electrostatic characteristics of the concave and convex surfaces of buckybowls. The structure-energy-reactivity relation can be precisely controlled, leading to a variety of unconventional properties for practical applications.
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