کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1337403 | 979628 | 2009 | 8 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Multifrequency electron paramagnetic resonance and theoretical studies of a Mn(II) (S = 5/2) complex: The role of geometrical elements on the Zero Field Splitting parameters Multifrequency electron paramagnetic resonance and theoretical studies of a Mn(II) (S = 5/2) complex: The role of geometrical elements on the Zero Field Splitting parameters](/preview/png/1337403.png)
The Zero Field Splitting (ZFS) parameters of the mononuclear Mn(II) (S = 5/2) compound [Mn(Ac4Ph)2], where HAc4Ph stands for 4-phenyl-2-acetylpyridine thiosemicarbazone, are determined by dual mode X-band and high field/high frequency electron paramagnetic resonance spectroscopy. Density functional theory (DFT) calculations reproduce both the sign and absolute value of the axial parameter D of the ZFS tensor, whose distribution is quantitatively correlated to distribution on geometrical elements of the complex.
The Zero Field Splitting parameters of the mononuclear Mn(II) (S = 5/2) compound [Mn(Ac4Ph)2], where HAc4Ph stands for 4-phenyl-2-acetylpyridine thiosemicarbazone, are determined by dual mode X-band and high field/high frequency electron paramagnetic resonance spectroscopy. The results are in agreement with density functional theory calculations.Figure optionsDownload as PowerPoint slide
Journal: Polyhedron - Volume 28, Issue 15, 13 October 2009, Pages 3257–3264