Molecular structure of complexes with a bifurcated hydrogen bond. 5. Dimers of 3-hydroxy-2-methyl-4-pyrone in inert media View Full Text


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Article Info

DATE

2006-11

AUTHORS

S. A. Mukha, N. N. Chipanina, I. V. Sterkhova, T. N. Aksamentova, S. A. Medvedeva, V. K. Turchaninov

ABSTRACT

According to the data from IR spectroscopy and quantum-chemical calculations (B3LYP/6-31G**, B3LYP/6-311G*), in the vapor and in dichloroethane the synperiplanar conformer of 3-hydroxy-2-methyl-4-pyrone (maltol) exists in equilibrium with two types of dimers. The hydrogen atom of the hydroxy group of one them participates in the formation of a three-center bifurcated hydrogen bond. The second isomer is formed by means of two such H bonds, the intramolecular component of which is substantially weakened while the intermolecular component is so strong that it approximates in character to a two-center hydrogen bond. More... »

PAGES

1404-1413

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s10593-006-0256-2

DOI

http://dx.doi.org/10.1007/s10593-006-0256-2

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1003502689


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