期刊
CHEMISTRY-A EUROPEAN JOURNAL
卷 22, 期 2, 页码 646-655出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201503863
关键词
crystal engineering; density functional calculations; dispersion interactions; heteroacenes; triptycenes
资金
- German Research Council (Deutsche Forschungsgemeinschaft)
- Fonds der Chemischen Industrie
The crystalline packing of a pi-extended D-3h-symmetric triptycene reveals a particular pi stacking motif with an almost-eclipsed arrangement of adjacent pi planes despite the steric repulsion of tert-butyl substituents. Four model compounds were analyzed by using single-crystal X-ray diffraction and theoretical calculations to study the influence of dispersion interactions of molecular parts and understand the relationship between the molecular structure and this unique packing motif.
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