Conformational equilibrium in supramolecular chemistry: Dibutyltriuret case
Mroczyńska, K., Kaczorowska, M., Kolehmainen, E., Grubecki, I., Pietrzak, M., & Ośmiałowski, B. (2015). Conformational equilibrium in supramolecular chemistry: Dibutyltriuret case. Beilstein Journal of Organic Chemistry, 11, 2105-2116. https://doi.org/10.3762/bjoc.11.227
Julkaistu sarjassa
Beilstein Journal of Organic ChemistryTekijät
Päivämäärä
2015Tekijänoikeudet
© 2015 Mroczyńska et al; licensee Beilstein-Institut. This is an Open Access article under the terms of the Creative Commons Attribution License.
The association of substituted benzoates and naphthyridine dianions was used to study the complexation of dibutyltriuret. The title
molecule is the simplest molecule able to form two intramolecular hydrogen bonds. The naphthyridine salt was used to break two
intramolecular hydrogen bonds at a time while with the use of substituted benzoates the systematic approach to study association
was achieved. Both, titrations and variable temperature measurements shed the light on the importance of conformational equilibrium
and its influence on association in solution. Moreover, the associates were observed by mass spectrometry. The DFT-based
computations for complexes and single bond rotational barriers supports experimental data and helps understanding the properties
of multiply hydrogen bonded complexes.
Julkaisija
Beilstein - Institut zur Foerderung der Chemischen WissenschaftenISSN Hae Julkaisufoorumista
1860-5397Julkaisu tutkimustietojärjestelmässä
https://converis.jyu.fi/converis/portal/detail/Publication/25224845
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