Confinement inside a Crystalline Sponge Induces Pyrrole To Form N−H⋅⋅⋅π Bonded Tetramers

Confinement inside a Crystalline Sponge Induces Pyrrole To Form N−H⋅⋅⋅π Bonded Tetramers

Based on the DFT‐level‐calculated molecular volume (Vmol) of pyrrole and its liquid density, pyrrole manifests the highest liquid density coefficient LDc (defined as [Vmol×density ×0.6023]/FW) value of 0.7. Normal liquids have LDc

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Veröffentlicht in:Chemistry : a European journal 2021-07, Vol.27 (38), p.9814-9819
Hauptverfasser: Wu, Mengling, Zhang, Junle, Yuan, Liangqian, Rissanen, Kari, Pan, Fangfang
Format: Artikel
Sprache:eng
Schlagworte:
aggregation
Chemistry
Computer applications
Confined spaces
Confinement
confinement effects
Crystal structure
crystalline sponge method
Crystallinity
Crystallography
Density
Dimers
host-guest chemistry
pyrrole tetramer
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Zusammenfassung:Based on the DFT‐level‐calculated molecular volume (Vmol) of pyrrole and its liquid density, pyrrole manifests the highest liquid density coefficient LDc (defined as [Vmol×density ×0.6023]/FW) value of 0.7. Normal liquids have LDc
ISSN:0947-6539
1521-3765
DOI:10.1002/chem.202100087