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5. Stop rotating! One substitution halts the B19−motor

Author

Cervantes-Navarro, Francisco, primary, Martínez-Guajardo, Gerardo, additional, Osorio, Edison, additional, Moreno, Diego, additional, Tiznado, William, additional, Islas, Rafael, additional, Donald, Kelling J., additional, and Merino, Gabriel, additional

Published
2014
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8. Stop rotating! One substitution halts the B19- motor.

Author

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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