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Solid-state high-resolution NMR studies on spin density distribution of a ferromagnetic coordination polymer: Ni(NCS)2(Him)2
Title: | Solid-state high-resolution NMR studies on spin density distribution of a ferromagnetic coordination polymer: Ni(NCS)2(Him)2 |
Authors: | Maruta, Goro Browse this author | Takeda, Sadamu Browse this author |
Keywords: | imidazole | solid-state high-resolution NMR | magnetic property | coordination polymer | spin density distribution |
Issue Date: | 17-Nov-2005 |
Publisher: | Elsevier |
Journal Title: | Polyhedron |
Volume: | 24 |
Issue: | 16-17 |
Start Page: | 2424 |
End Page: | 2430 |
Publisher DOI: | 10.1016/j.poly.2005.03.048 |
Abstract: | We determined hyperfine coupling constants (hfcc) of the imidazole ligand in a ferromagnetic coordination polymer, di-μ-thiocyanatobis(imidazole)nickel(II), using 1H-, 2H-, and 13C-MAS-NMR. Partially or fully deuterated sample was prepared to measure temperature dependence of the isotropic shifts of NMR signals. We obtained hfcc of AC = +0.57, +0.69, +1.88 MHz for 2-, 4-, 5-carbon and AH = +0.66, +0.37, +0.48, +0.53 MHz for 1-, 2-, 4-, 5-proton in the imidazole ligand, respectively, which indicates that unpaired electron in dx2*y2 orbital of Ni(II) ion delocalizes over the imidazole ligand. On the basis of the NMR and DFT results, we proposed an interchain superexchange pathway through N-H...S hydrogen bond. |
Description URI: | http://www.sciencedirect.com/science/journal/02775387 |
Type: | article (author version) |
URI: | http://hdl.handle.net/2115/8296 |
Appears in Collections: | 理学院・理学研究院 (Graduate School of Science / Faculty of Science) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)
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Submitter: 丸田 悟朗
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