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A universal mechanism of the planar boron rotors B 11 - , B 13 + , B 15 + , and B 19 - : inner wheels rotating in pseudo-rotating outer bearings.
- Source :
-
Nanoscale [Nanoscale] 2017 Jan 26; Vol. 9 (4), pp. 1443-1448. - Publication Year :
- 2017
-
Abstract
- Planar boron clusters B <subscript>11</subscript> <superscript>-</superscript> , B <subscript>13</subscript> <superscript>+</superscript> , B <subscript>15</subscript> <superscript>+</superscript> , and B <subscript>19</subscript> <superscript>-</superscript> have been introduced recently as molecular Wankel motors or tank treads. Here we present a universal mechanism for these dynamically fluxional clusters; that is, they are molecular rotors with inner wheels that rotate almost freely in pseudo-rotating outer bearings, analogous to rotating molecules trapped in pseudo-rotating cages. This mechanism has significant quantum mechanical consequences: the global-minimum structures of the clusters have C <subscript>2v</subscript> symmetry, whereas the wheels rotating in pseudo-rotating bearings generate rosette-type shapes with D <subscript>9h</subscript> , D <subscript>10h</subscript> , D <subscript>11h</subscript> , and D <subscript>13h</subscript> symmetries. The related rotational/pseudo-rotational energies appear with characteristic band structures, effecting the dynamics.
Details
- Language :
- English
- ISSN :
- 2040-3372
- Volume :
- 9
- Issue :
- 4
- Database :
- MEDLINE
- Journal :
- Nanoscale
- Publication Type :
- Academic Journal
- Accession number :
- 28094386
- Full Text :
- https://doi.org/10.1039/c6nr09074e