Hydrogen bonds in dimers of 3-hydroxy-2-methyl-4-pyrone. AIM analysis View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2009-02

AUTHORS

E. P. Doronina, T. N. Aksamentova, N. N. Chipanina, S. A. Mukha, S. A. Medvedeva

ABSTRACT

According to quantum topological analysis performed at the MP2/6-311++G** level the intramolecular hydrogen bond OH⋯O=C in 3-hydroxy-2-methyl-4-pyrone (maltol) is weak and has ionic nature. This bond is broken upon formation of H-complex of maltol with phosgene and with increase the polarity of medium. The chain dimer of maltol is stabilized by weak intermolecular bonds OH⋯O=C and CH⋯O=C of ionic character, whereas the cyclic dimer by two medium in strength intermolecular hydrogen bonds OH⋯O=C. More... »

PAGES

297-302

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s1070363209020224

DOI

http://dx.doi.org/10.1134/s1070363209020224

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1042479610


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