1. Stop rotating! One substitution halts the B19- motor.
- Author
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Cervantes-Navarro, Francisco, Moreno, Diego, Merino, Gabriel, Martínez-Guajardo, Gerardo, Islas, Rafael, Osorio, Edison, Tiznado, William, and Donald, Kelling J.
- Subjects
- *
BORON , *ATOMIC clusters , *ANION separation , *BORN-Oppenheimer approximation , *MOLECULAR rotation , *GENETIC algorithms - Abstract
The B19- anion and other boron species have been dubbed 'Wankel motors' for the almost barrierless rotation of inner and outer concentric rings relative to each other in these compounds. A single substitution in B19- is shown to shut down the well-established fluxionality in the anion. A carbon atom substituted in the structure to give a neutral CB18 species is shown computationally to enforce bond localization. [ABSTRACT FROM AUTHOR]
- Published
- 2014
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