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A curved host and second guest cooperatively inhibit the dynamic motion of corannulene
DOI:
10.1038/s41467-021-24344-w
Authors:
Yang
Yang
(University of Cambridge; Jiangsu Normal University)
,
Tanya K.
Ronson
(University of Cambridge)
,
Zifei
Lu
(University of Cambridge)
,
Jieyu
Zheng
(University of Cambridge)
,
Nicolas
Vanthuyne
(Aix Marseille Univ, CNRS)
,
Alexandre
Martinez
(Aix Marseille Univ, CNRS)
,
Jonathan R.
Nitschke
(University of Cambridge)
Co-authored by industrial partner:
No
Type:
Journal Paper
Journal:
Nature Communications
, VOL 12
State:
Published (Approved)
Published:
July 2021
Diamond Proposal Number(s):
21497

Abstract: Biomolecular systems show how host–guest binding can induce changes in molecular behavior, which in turn impact the functions of the system. Here we report an artificial host–guest system where dynamic adaptation during guest binding alters both host conformation and guest dynamics. The self-assembled cage host employed here possesses concave walls and a chirotopic cavity. Complementarity between the curved surfaces of fullerenes and the inner surface of the host cavity leads the host to reconfigure stereochemically in order to bind these guests optimally. The curved molecule corannulene undergoes rapid bowl-to-bowl inversion at room temperature. Its inversion barrier is increased upon binding, however, and increased further upon formation of a ternary complex, where corannulene and a cycloalkane are both bound together. The chiral nature of the host also leads to clear differences in the NMR spectra of ternary complexes involving corannulene and one or the other enantiomer of a chiral guest, which enables the determination of enantiomeric excess by NMR.
Subject Areas:
Chemistry
Instruments:
I19-Small Molecule Single Crystal Diffraction
Added On:
07/07/2021 10:51
Documents:
s41467-021-24344-w.pdf
Discipline Tags:
Chemistry
Inorganic Chemistry
Technical Tags:
Diffraction
Single Crystal X-ray Diffraction (SXRD)