Long-range spin-spin interactions in the 13C-n.m.r. spectra of the nickel(II) complex of the Schiff base of (S)-N-benzylproline (2-benzoylphenyl)amide and glycine. Quantum-chemical calculations and possible donation of electron density from the π-system of the benzyl group to nickel
Long-range spin-spin interactions in the 13C-n.m.r. spectra of the nickel(II) complex of the Schiff base of (S)-N-benzylproline (2-benzoylphenyl)amide and glycine. Quantum-chemical calculations and possible donation of electron density from the π-system of the benzyl group to nickel
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DOI：
10.1023/a:1023691827124
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发表时间：
2003-05-01
影响因子：
1.7
通讯作者：
Weidlich, T
中科院分区：
文献类型：
--
作者：
Popkov, A;Langer, V;Weidlich, T
C-13-n.m.r.中的长程[（n）J（C-13，C-13），（n）J（N-15，N-15）和（n）J（N-15，C-13）]相互作用由（S）-N-苄基脯氨酸（2-苯甲酰基苯基）酰胺和甘氨酸衍生的席夫碱的选择性标记的镍（II）络合物的CDCl 3溶液的光谱提供了从苄基环的π-系统向镍轨道提供电子密度的必要性的实验证据。在（H-2）DMSO溶液中没有观察到这种相互作用，其中复合物以不同的构象存在。
Long-range [(n)J(C-13, C-13), (n)J(N-15, N-15) and (n)J(N-15, C-13)] interactions in the C-13-n.m.r. spectra of CDCl3 solutions of selectively labeled nickel(II) complexes of the Schiff base derived from (S)-N-benzylproline (2-benzoylphenyl)amide and glycine provide experimental evidence for the necessity of the donation of electron density from the pi-system of the benzyl ring to the nickel orbitals. No such interactions were observed in (H-2) DMSO solutions, where the complex exists in a different conformation.