کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1307479 | 1499142 | 2016 | 7 صفحه PDF | دانلود رایگان |
• Crystal structures of fac and mer isomers of tris(β-diketonato)cobalt(III).
• Crystal structure of tris(β-diketonato)chromium(III).
• Molecular energy levels and orbitals of [Cr(acac)3] and [Co(acac)3].
• Structures with D3, C3 and C1 molecular symmetry.
Solid state crystal data of three tris(β-diketonato)metal(III) complexes (M = Cr or Co), representative of the three different molecular symmetries that these complexes can obtain, namely D3, C3 or C1 symmetry, are presented and compared with related experimental structures. Density functional theory calculations show that both fac and mer isomers of tris(β-diketonato)metal(III) complexes containing unsymmetrical β-diketonato ligands can exist, in agreement with experimental NMR data. The orbital ordering for both the S = 3/2 [Cr(acac)3] and S = 0 [Co(acac)3] (Hacac = acetylacetone) complexes in order of increasing orbital energy is: dxy Synthesis, crystal and electronic structures of selected symmetrical, fac and mer isomers of tris(β-diketonato)metal(III) complexes.Figure optionsDownload as PowerPoint slide
Journal: Inorganica Chimica Acta - Volume 447, 1 June 2016, Pages 59–65