کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1340103 | 1500294 | 2007 | 4 صفحه PDF | دانلود رایگان |

The magnetic property of a one-dimensional magnetic chain, 5,10,15,20-tetrakis(4-bromophenyl)porphyrinatomanganese(III) tetracyanoethenide ([MnTBrPP]+[TCNE]−), is investigated by using model complexes and ab initio calculations. In these models, MnTBrPP is reduced to a manganese porphyrin complex (MnP). The spin-polarized density functional theory (UDFT) and the hybrid UDFT were used to calculate the complexes, and Pederson’s scheme was used to calculate their zero-field splitting (ZFS) parameters. We found from the model calculations that the TCNE coordination hardly affects the magnetic anisotropy of MnP.
The magnetic property of a one-dimensional magnetic chain, 5,10,15,20-tetrakis(4-bromophenyl)porphyrinatomanganese(III) tetracyanoethenide ([MnTBrPP]+[TCNE]−), is investigated by using model complexes and density functional calculations. In these models, MnTBrPP is reduced to a manganese porphyrin complex (MnP). It found that the TCNE coordination hardly affects the magnetic anisotropy of MnP.Figure optionsDownload as PowerPoint slide
Journal: Polyhedron - Volume 26, Issues 9–11, 15 June 2007, Pages 2309–2312