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Pregled bibliografske jedinice broj: 720092

Intra- and intermolecular hydrogen bonding in acetylacetone and benzoylacetone derived enaminone derivatives


Lazić, Vedrana; Jurković, Mihaela; Jednačak, Tomislav; Hrenar, Tomica; Parlov Vuković, Jelena; Novak, Predrag
Intra- and intermolecular hydrogen bonding in acetylacetone and benzoylacetone derived enaminone derivatives // Journal of molecular structure, 1079 (2015), 243-249 doi:10.1016/j.molstruc.2014.09.048 (međunarodna recenzija, članak, znanstveni)


CROSBI ID: 720092 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Intra- and intermolecular hydrogen bonding in acetylacetone and benzoylacetone derived enaminone derivatives

Autori
Lazić, Vedrana ; Jurković, Mihaela ; Jednačak, Tomislav ; Hrenar, Tomica ; Parlov Vuković, Jelena ; Novak, Predrag

Izvornik
Journal of molecular structure (0022-2860) 1079 (2015); 243-249

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
enaminone derivatives; structure; hydrogen bonding; NMR and UV spectroscopy; quantum chemical calculations

Sažetak
The structure and hydrogen bonding in solution of acetylacetone and benzoylacetone derived enaminone derivatives, 1a–1d and 2a–2d, have been studied by a combination of experimental (NMR and UV spectroscopies) and theoretical (PM6 and DFT) methods. It has been shown that all studied compounds predominantly existed in the localised keto-amine tautomeric form in solution as found also in the solid state. Significant line- broadening and down-field chemical shifts of NH and OH protons have strongly indicated that both groups formed hydrogen bonds, which has further been supported by quantum chemical calculations. Temperature and concentration dependent NMR measurements have pointed towards the fact that NH protons are engaged in strong intramolecular hydrogen bonds of the NH...O=C type in both solvents. On the other hand, OH protons are involved in weaker intermolecular hydrogen bonding with solvent molecules in DMSO, while in chloroform intermolecular interactions between two molecules dominate. The results presented in this paper can be used for better understanding and further exploiting properties these ligands possess, especially their bioactivity.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekti:
119-1191342-1083 - Interakcije i dizajn bioaktivnih molekula (Novak, Predrag, MZOS ) ( POIROT)
119-1191342-2959 - Spektroskopska analiza nezasićenih sustava i spojeva metala (Miljanić, Snežana, MZOS ) ( POIROT)

Ustanove:
INA-Industrija nafte d.d.,
Prirodoslovno-matematički fakultet, Zagreb,
Nastavni zavod za javno zdravstvo "Dr. Andrija Štampar"

Citiraj ovu publikaciju

Lazić, Vedrana; Jurković, Mihaela; Jednačak, Tomislav; Hrenar, Tomica; Parlov Vuković, Jelena; Novak, Predrag
Intra- and intermolecular hydrogen bonding in acetylacetone and benzoylacetone derived enaminone derivatives // Journal of molecular structure, 1079 (2015), 243-249 doi:10.1016/j.molstruc.2014.09.048 (međunarodna recenzija, članak, znanstveni)
Lazić, V., Jurković, M., Jednačak, T., Hrenar, T., Parlov Vuković, J. & Novak, P. (2015) Intra- and intermolecular hydrogen bonding in acetylacetone and benzoylacetone derived enaminone derivatives. Journal of molecular structure, 1079, 243-249 doi:10.1016/j.molstruc.2014.09.048.
@article{article, year = {2015}, pages = {243-249}, DOI = {10.1016/j.molstruc.2014.09.048}, keywords = {enaminone derivatives, structure, hydrogen bonding, NMR and UV spectroscopy, quantum chemical calculations}, journal = {Journal of molecular structure}, doi = {10.1016/j.molstruc.2014.09.048}, volume = {1079}, issn = {0022-2860}, title = {Intra- and intermolecular hydrogen bonding in acetylacetone and benzoylacetone derived enaminone derivatives}, keyword = {enaminone derivatives, structure, hydrogen bonding, NMR and UV spectroscopy, quantum chemical calculations} }
@article{article, year = {2015}, pages = {243-249}, DOI = {10.1016/j.molstruc.2014.09.048}, keywords = {enaminone derivatives, structure, hydrogen bonding, NMR and UV spectroscopy, quantum chemical calculations}, journal = {Journal of molecular structure}, doi = {10.1016/j.molstruc.2014.09.048}, volume = {1079}, issn = {0022-2860}, title = {Intra- and intermolecular hydrogen bonding in acetylacetone and benzoylacetone derived enaminone derivatives}, keyword = {enaminone derivatives, structure, hydrogen bonding, NMR and UV spectroscopy, quantum chemical calculations} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus


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