Structural, thermodynamic and electronic properties of Gallium(III) complexes with acetylacetone and Curcuminoidic core

Enrico Benassi, Ferdinando Spagnolo

Результат исследований: Материалы для журналаСтатьярецензирование

Аннотация

During the last few decades, the oxygenated chelant complexes of the Gallium(III) ion have been utilised in biological and pharmaceutical fields, because of their remarkable therapeutical properties, especially for the clinical anti-cancer treatments. Main purpose of the present work is to investigate, from a theoretical and computational point of view, the thermodynamic, structural and electronic properties of the complexes and the complexation equilibria of the Ga(III) ion with two oxygenated chelant ligands (acetylacetone and 1,7-diphenyl-5-hydroxy-1,4,6-heptatrien-3-one), in vacuo. Comparisons with Literature experimental data are even discussed.

Язык оригиналаАнглийский
Страницы (с-по)75-83
Число страниц9
ЖурналComputational and Theoretical Chemistry
Том966
Номер выпуска1-3
DOI
СостояниеОпубликовано - 1 янв 2011
Опубликовано для внешнего пользованияДа

ASJC Scopus subject areas

  • Biochemistry
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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