The journal of physical chemistry. A, 116(48), 11920-11926 (2012-11-10)
π-π interactions are integral to many areas of chemistry, biochemistry, and materials science. Here we use electronic structure theory to analyze how π-π interactions change as the π-systems are curved in model complexes based on coronene and corannulene dimers. Curvature
Physical chemistry chemical physics : PCCP, 13(1), 309-313 (2010-11-26)
Coronene (C(24)H(12)) is a flat polyaromatic hydrocarbon consisting of seven peri-fused benzene rings and attracts lots of attention as a fragment of graphene. Using a hybrid method of quantum chemistry and statistical mechanics called RISM-SCF, which is an alternative to
Chemistry (Weinheim an der Bergstrasse, Germany), 19(37), 12313-12324 (2013-07-31)
Ten types of neutral charge transfer (CT) complexes of coronene (electron donor; D) were obtained with various electron acceptors (A). In addition to the reported 7,7,8,8-tetracyanoquinodimethane (TCNQ) complex of 1:1 stoichiometry with a DA-type alternating π column, TCNQ also afforded
A self-assembled M8L6 cubic cage that selectively encapsulates large aromatic guests.
Wenjing Meng et al.
Angewandte Chemie (International ed. in English), 50(15), 3479-3483 (2011-03-12)
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