Stacking interactions of hydrogen-bridged rings – stronger than the stacking of benzene molecules

Stacking interactions of hydrogen-bridged rings – stronger than the stacking of benzene molecules

Analysis of crystal structures from the Cambridge Structural Database showed that 27% of all planar five-membered hydrogen-bridged rings, possessing only single bonds within the ring, form intermolecular stacking interactions. Interaction energy calculations show that interactions can be as strong a...

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Veröffentlicht in:Chemical communications (Cambridge, England) England), 2015-08, Vol.51 (65), p.12989-12991
Hauptverfasser: Blagojevic, Jelena P, Zaric, Snezana D
Format: Artikel
Sprache:eng
Schlagworte:
Benzene
Chemical bonds
Crystal structure
Mathematical analysis
Ring structures
Stacking
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Zusammenfassung:Analysis of crystal structures from the Cambridge Structural Database showed that 27% of all planar five-membered hydrogen-bridged rings, possessing only single bonds within the ring, form intermolecular stacking interactions. Interaction energy calculations show that interactions can be as strong as -4.9 kcal mol(-1), but dependent on ring structure.
ISSN:1359-7345
1364-548X
DOI:10.1039/c5cc04139b