کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1308483 | 975174 | 2009 | 9 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Isomer distribution and structure of (2,2′-biphenyldiolato)bis(β-diketonato)titanium(IV) complexes: A single crystal X-ray, solution NMR and computational study Isomer distribution and structure of (2,2′-biphenyldiolato)bis(β-diketonato)titanium(IV) complexes: A single crystal X-ray, solution NMR and computational study](/preview/png/1308483.png)
Novel dichlorobis(β-diketonato)titanium(IV) Ti(C6H5COCHCOR)2Cl2 and (2,2′-biphenyldiolato)bis(β-diketonato)titanium(IV) Ti(C6H5COCHCOR)2biphen complexes with R = CH3, C6H5 and CF3, are synthesized and characterized by X-ray crystallography and further physical methods. There is a good agreement between DFT calculated and experimental structural data. A configurational analysis gives a calculated isomer distribution that is in agreement with the experimental data derived from low temperature 1H NMR spectroscopy. The Ti(C6H5COCHCOR)2biphen complexes exhibit high hydrolytic stability.
The solid state structure of Ti(C6H5COCHCOCH3)2biphen, also the energetically favored isomer from a DFT computational study, adopts the cis–trans–cis configuration with the phenyl ends of the benzoylacetonato ligands in the trans position.Figure optionsDownload as PowerPoint slide
Journal: Inorganica Chimica Acta - Volume 362, Issue 9, 1 July 2009, Pages 3088–3096