Health & Environmental Research Online (HERO)


Print Feedback Export to File
7614072 
Journal Article 
Ternary Cocrystals with Large Soft Cavities: A 1,4-diiodotetrafluorobenzene (DITFB)⋅4-Biphenylpyridine N-oxide (BPNO) Host Assembled by Inclusion of Planar Aromatic Guests 
Liang, WJ; Wang, H; Chen, X; Zhang, TT; Bai, YF; Feng, F; Jin, WJ; , 
2021 
1 
ChemPlusChem
EISSN: 2192-6506 
WILEY-V C H VERLAG GMBH 
WEINHEIM 
86 
2 
252-258 
English 
33555637 
WOS:000621086400005 
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. 
cocrystals; halogen bonds; host-guest complexes; soft cavities; supramolecular chemistry