Computational evidence for intramolecular hydrogen bonding and nonbonding X···O interactions in 2'-haloflavonols

The conformational isomerism and stereoelectronic interactions present in 2'-haloflavonols were computationally analyzed. On the basis of the quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) analysis, the conformer stabilities of 2'-haloflavonols were found to be...

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Bibliografische gegevens
Hoofdauteurs: Fonseca, Tânia A O, Freitas, Matheus P, Cormanich, Rodrigo A, Ramalho, Teodorico C, Tormena, Cláudio F, Rittner, Roberto
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: Beilstein-Institut 2012
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Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3302071/
https://ncbi.nlm.nih.gov/pubmed/22423278
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3762/bjoc.8.12
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