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Adsorption behaviour of a Cd II –triazole MOF for butan‐2‐one in a single‐crystal‐to‐single‐crystal (SCSC) fashion: the role of hydrogen bonding and C—H…π interactions
Author(s) -
Wang Jia,
You Tianchao,
Wang Teng,
Liu Qikui,
Ma Jianping,
Jin Guoxia
Publication year - 2019
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229619006788
Subject(s) - single crystal , hydrogen bond , adsorption , crystallography , hydrogen , chemistry , single center , materials science , molecule , organic chemistry , medicine , surgery
The adsorption behaviour of the Cd II –MOF {[Cd( L ) 2 (ClO 4 ) 2 ]·H 2 O ( 1 ), where L is 4‐amino‐3,5‐bis[3‐(pyridin‐4‐yl)phenyl]‐1,2,4‐triazole, for butan‐2‐one was investigated in a single‐crystal‐to‐single‐crystal (SCSC) fashion. A new host–guest system that encapsulated butan‐2‐one molecules, namely poly[[bis{μ 3 ‐4‐amino‐3,5‐bis[3‐(pyridin‐4‐yl)phenyl]‐1,2,4‐triazole}cadmium(II)] bis(perchlorate) butanone sesquisolvate], {[Cd(C 24 H 18 N 6 ) 2 ](ClO 4 ) 2 ·1.5C 4 H 8 O} n , denoted C 4 H 8 O@Cd‐MOF ( 2 ), was obtained via an SCSC transformation. MOF 2 crystallizes in the tetragonal space group P 4 3 2 1 2. The specific binding sites for butan‐2‐one in the host were determined by single‐crystal X‐ray diffraction studies. N—H…O and C—H…O hydrogen‐bonding interactions and C—H…π interactions between the framework, ClO 4 − anions and guest molecules co‐operatively bind 1.5 butan‐2‐one molecules within the channels. The adsorption behaviour was further evidenced by 1 H NMR, IR, TGA and powder X‐ray diffraction experiments, which are consistent with the single‐crystal X‐ray analysis. A 1 H NMR experiment demonstrates that the supramolecular interactions between the framework, ClO 4 − anions and guest molecules in MOF 2 lead to a high butan‐2‐one uptake in the channel.