Premium
Ternary Cocrystals with Large Soft Cavities: A 1,4‐diiodotetrafluorobenzene (DITFB)⋅4‐Biphenylpyridine N ‐oxide (BPNO) Host Assembled by Inclusion of Planar Aromatic Guests
Author(s) -
Liang Wen Juan,
Wang Hui,
Chen Xue,
Zhang Ting Ting,
Bai Yun Feng,
Feng Feng,
Jin Wei Jun
Publication year - 2021
Publication title -
chempluschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.801
H-Index - 61
ISSN - 2192-6506
DOI - 10.1002/cplu.202000779
Subject(s) - ternary operation , molecule , luminescence , crystallography , perylene , phenazine , pyrene , materials science , oxide , crystal engineering , cocrystal , chemistry , crystal structure , host–guest chemistry , photochemistry , supramolecular chemistry , optoelectronics , organic chemistry , hydrogen bond , computer science , programming language
A large soft‐cavity host composed of 1,4‐diiodotetrafluorobenzene (DITFB) and 4‐biphenylpyridine N ‐oxide (BPNO) is assembled under the mediation of a planar aromatic guest molecule (pyrene or perylene) through C−I⋅⋅⋅ − O−N + halogen bonds and π‐hole⋅⋅⋅π bonds. Single‐crystal X‐ray diffraction reveals that guest molecules can be completely encapsulated in the four‐layer host cavity to assemble ternary host‐guest cocrystals; namely, Pyr@DITFB ⋅ BPNO and Per@DITFB ⋅ BPNO. The luminescence of these ternary cocrystals originates from their discrete guest molecules, which exhibit pure‐blue and yellow emissions, respectively, that are localized at 425 nm and in the range of 485 to 578 nm, respectively. In addition, the contribution of different fragments to the stabilization of the crystal structure is estimated by computational chemistry. These cocrystals have significant potential for use in optical applications or materials, such as photonics or organic light‐emitting diodes, respectively, that require to avoid the aggregation between luminophores.