Characterization of the short strong hydrogen bond in benzoylacetone by ab initio calculations and accurate diffraction experiments. Implications for the electronic nature of low-barrier hydrogen bonds in enzymatic reactions

Journal of the American Chemical Society

Volumn 120, Issue 46, 1998, Pages 12117-12124

  Schiøtt, Birgit ^a   Iversen, Bo Brummerstedt ^a,b   Madsen, Georg Kent Hellerup ^b   Bruice, Thomas C ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b AARHUS UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

BENZOYLACETONE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL ANALYSIS; COVALENT BOND; HYDROGEN BOND; MOLECULAR INTERACTION; MOLECULAR STABILITY; REACTION ANALYSIS; X RAY DIFFRACTION;

EID: 0032567157     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja982317t     Document Type: Article

References (3)

1. Jeffrey, G. A., Saenger, W. Hydrogen Bonding in Biological Structures; Springer: Berlin, 1991.
2. (a) Aakeroy, C. B. Acta Crystallogr. 1997, B53, 569-586.
3. (b) Desiraju, G. R. Chem. Commun. 1997, 1475-1482.