A Dipleiadiene-Embedded Aromatic Saddle Consisting of 86 Carbon Atoms
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AbstractThis study presents a new type of negatively curved nanographene (C86H32) that contains an unprecedented pattern of heptagons. A tert-butylated derivative of C86H32 was successfully synthesized using tetrabenzodipleiadiene as a key building block. This synthesis involved a ring expansion reaction as a key step to form the seven-membered rings in the framework of tetrabenzodipleiadiene. The single-crystal structure reveals a saddle-shaped molecule with a highly bent naphthalene moiety at the center of the polycyclic backbone. As found from the DFT calculations, this aromatic saddle is flexible at room temperature and has a saddle-shaped geometry as the dominant conformation. The DFT calculations along with experimental results show that the attachment of t-butyl groups to the central tetrabenzodipleiadiene moiety of nanographene C86H32 can stabilize the saddle conformation and make this nanographene less flexible.
All Author(s) ListPun SH, Chan CK, Luo JY, Liu ZF, Miao Q
Journal nameAngewandte Chemie International Edition
Year2018
Month2
Day5
Volume Number57
Issue Number6
PublisherWiley
Pages1581 - 1586
ISSN1433-7851
eISSN1521-3773
LanguagesEnglish-United Kingdom
Keywordsarenes, nanographene, polycycles, stereochemistry
Web of Science Subject CategoriesChemistry, Multidisciplinary;Chemistry

Last updated on 2020-05-04 at 01:34