Hydrophobicity directed guest-inclusion for structure-elucidation of enclatherated guests within a crystalline sponge by SC-XRD
Journal of Molecular Structure（2022）
Abstract
•Analogous dithiines, were post crystallized to be characterized by SCXRD within MOF.•The relative impact on guest-occupancy and recognition site within MOF was studied.•Hirshfeld surface with fingerprint plot analysis was performed for interactions.•The study is a clue for the successful structure determination without crystallization.
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Key words
Postcrystallization in MOF,Molecular Structure determination by crystalline sponge method,Non-crystalline state crystallography,Effect of polarity on guest encapsulation in MOF,Solvent optimization for guest soaking in MOF,Hirshfeld surfaces & Fingerprint plot calculation for guest-host noncovalent interactions,Relative impact of side groups functionality on guest occupancy,Recognition sites in Zn-TPT MOF
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