Journal
ISCIENCE
Volume 22, Issue -, Pages 269-+Publisher
CELL PRESS
DOI: 10.1016/j.isci.2019.11.020
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Funding
- National Natural Science Foundation of China [21371074, 90922010]
- Natural Science Foundation of Guangdong Province [2018A030313894]
- Jinan University
- Fundamental Research Funds for the Central Universities of China
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Studies of intermolecular interactions enhance our knowledge of chemistry across molecular and supramolecular levels. Here, we show that host-guest quadrupolar interaction has a profound influence on the molecular system. With covalently bonded dimolybdenum complex units as the electron donor (D) and acceptor (A) and a thienylene group (C4H2S) as the bridge (B), the mixed-valence D-B-A complexes are shaped with clefts in themiddle of the molecule. Interestingly, in aromatic solvents, the D-A electronic coupling constants (H-ab) and electron transfer rates (k(et)) are dramatically reduced. Theoretical computations indicate that an aromatic molecule is encapsulated in the cleft of the D-B-A array; quadrupole-quadrupole interaction between the guest molecule and the C4H2S bridge evokes a charge redistribution, which increases the HOMO-LUMO energy gap, intervening in the throughbond electron transfer. These results demonstrate that a supramolecular system is unified underlying the characteristics of the assembled molecules through constitutional, electronic, and energetic complementarities.
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