Synthesis, molecular structure, and EPR analysis of the three-coordinate Ni(I) complex [Ni(PPh3)3][BF4].
作者： V. V. Saraev , P. B. Kraikivskii , I. Svoboda , A. S. Kuzakov , R. F. Jordan
DOI: 10.1021/JP802462X
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摘要: The compound [Ni(PPh3)3][BF4]·BF3·OEt2 was isolated in crystalline form from the olefin oligomerization catalyst system Ni(PPh3)4/BF3·OEt2 and structurally characterized by X-ray diffraction. influence of vibronic coupling on EPR parameters three-coordinate metal complexes with a 3d9 electronic configuration investigated within framework ligand field theory. Analytical expressions for g-tensor components isotropic hyperfine constants nuclei were obtained using first-order perturbation It has been shown that account interaction excited state predicts existence three-axial anisotropy even at level theory; two axes located plane structure can rotate about main z axis when is distorted motion ligands. three points potential energy surface minimum, which linear quadric const...
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