期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 134, 期 3, 页码 1528-1535出版社
AMER CHEMICAL SOC
DOI: 10.1021/ja2063346
关键词
-
资金
- Swiss National Science Foundation (SNF)
Dynamic gearing of molecular spur gears, the most common type of mechanical gear, is elucidated. Molecular design and conformational analysis show that derivatives of 4,4-bis(triptycen-9-ylethynyl)bibenzimidazole represent suitable constructs to investigate gearing behavior of collateral triptycene (Tp) groups. To test this design, DFT calculations (B97-D/Def2-TZVP) were employed and the results suggest that these molecules undergo geared rotation preferentially to gear slippage. Synthesis of derivatives was carried out, providing a series of molecular spur gears, including the first desymmetrized spur gear molecules, which were subsequently subjected to stereochemical analysis.
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