The term “hydrogen bond” has been used in the literature for nearly a century now. While its importance has been realized by physicists, chemists, biologists, and material sci- entists, there has been a continual debate about what this term means. This debate has inten- sified following some important experimental results, especially in the last decade, which questioned the basis of the traditional view on hydrogen bonding. Most important among them are the direct experimental evidence for a partial covalent nature and the observation of a blue-shift in stretching frequency following X–HY hydrogen bond formation (XH being the hydrogen bond donor and Y being the hydrogen bond acceptor). Considering the recent experimental and theoretical advances, we have proposed a new definition of the hydrogen bond, which emphasizes the need for evidence. A list of criteria has been provided, and these can be used as evidence for the hydrogen bond formation. This list is followed by some char- acteristics that are observed in typical hydrogen-bonding environments.

Dening the hydrogen bond: An account (IUPAC Technical Report)

MENNUCCI, BENEDETTA;
2011-01-01

Abstract

The term “hydrogen bond” has been used in the literature for nearly a century now. While its importance has been realized by physicists, chemists, biologists, and material sci- entists, there has been a continual debate about what this term means. This debate has inten- sified following some important experimental results, especially in the last decade, which questioned the basis of the traditional view on hydrogen bonding. Most important among them are the direct experimental evidence for a partial covalent nature and the observation of a blue-shift in stretching frequency following X–HY hydrogen bond formation (XH being the hydrogen bond donor and Y being the hydrogen bond acceptor). Considering the recent experimental and theoretical advances, we have proposed a new definition of the hydrogen bond, which emphasizes the need for evidence. A list of criteria has been provided, and these can be used as evidence for the hydrogen bond formation. This list is followed by some char- acteristics that are observed in typical hydrogen-bonding environments.
2011
E., Arunan; G. R., Desiraju; R. A., Klein; J., Sadlej; S., Scheiner; I., Alkorta; D. C., Clary; R. H., Crabtree; J. J., Dannenberg; P., Hobza; H. G., Kjaergaard; A. C., Legon; Mennucci, Benedetta; D. J., Nesbitt
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11568/149890
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 834
  • ???jsp.display-item.citation.isi??? ND
social impact