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The unified quantum mechanical structure of tubular molecular rotors with multiple equivalent global minimum structures: the 18*C2h → D9d case of La-[B2@B18]-La.
- Source :
- Physical Chemistry Chemical Physics (PCCP); 9/21/2021, Vol. 23 Issue 35, p19146-19149, 4p
- Publication Year :
- 2021
-
Abstract
- La-[B<subscript>2</subscript>@B<subscript>18</subscript>]-La demonstrates decisive changes of the properties of molecular rotors, from multiple (here 18) equivalent individual global minimum structures to a quantum mechanical unified structure. This affects their geometries, their symmetries (18*C<subscript>2h</subscript> → D<subscript>9d</subscript>), the generation of energy bands, and high-resolution spectroscopy. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 14639076
- Volume :
- 23
- Issue :
- 35
- Database :
- Complementary Index
- Journal :
- Physical Chemistry Chemical Physics (PCCP)
- Publication Type :
- Academic Journal
- Accession number :
- 152490422
- Full Text :
- https://doi.org/10.1039/d1cp02980k