Covalency of hydrogen bonds in solids revisited

Covalency of hydrogen bonds in solids revisited

The covalent nature of short hydrogen bonds has been under debate for long. Here we show that the crystal orbital Hamilton population (COHP) bonding indicator gives new, complementary evidence of covalent hydrogen···acceptor interactions in the molecular solid state.

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Veröffentlicht in:Chemical communications (Cambridge, England) England), 2014-10, Vol.50 (78), p.11547-11549
Hauptverfasser: Deringer, Volker L, Englert, Ulli, Dronskowski, Richard
Format: Artikel
Sprache:eng
Schlagworte:
Chemical bonds
Covalence
Crystals
Hydrogen bonds
Indicators
Solid state
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Beschreibung
Zusammenfassung:The covalent nature of short hydrogen bonds has been under debate for long. Here we show that the crystal orbital Hamilton population (COHP) bonding indicator gives new, complementary evidence of covalent hydrogen···acceptor interactions in the molecular solid state.
ISSN:1359-7345
1364-548X
DOI:10.1039/c4cc04716h