EPR study of the low-spin [d3; S=1/2], Jahn-Teller-active, dinitrogen complex of a molybdenum trisamidoamine
EPR study of the low-spin [d3; S=1/2], Jahn-Teller-active, dinitrogen complex of a molybdenum trisamidoamine
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DOI：
10.1021/ja068546u
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发表时间：
2007-03-28
影响因子：
15
通讯作者：
Hoffman, Brian M.
中科院分区：
文献类型：
--
作者：
McNaughton, Rebecca L.;Chin, Jia Min;Hoffman, Brian M.
三氨基胺络合物[Mo]N-2的首次EPR研究，其中[Mo] = Mo（III）[HIPTN 3 N]且HIPT = [3，5-（2，4，6-i-Pr-3-C6 H2）（2）C6 H3 NCH 2CH 2]（3）N3-，揭示了这种低自旋（S = 1/2）[d（3）]配合物在绝热极限下表现出经历伪Jahn-Teller畸变的E-2态，通过与溶剂的相互作用而改变，并且分析给出了相互作用能的近似值。实验证实[ Mo] N2呈现低自旋[e（3）]电子组态，而不是[a（2）e（1）]，其中a（z（2））反键轨道的能量显著高于e[xz，yz]轨道。
The first EPR study of the trisamidoamine complex, [Mo]N-2, where [Mo] = Mo(III)[HIPTN3N] and HIPT = [3,5-(2,4,6-i-Pr-3-C6H2)(2)C6H3NCH2CH2](3)N3-, reveals that this low-spin (S = 1/2) [d(3)] complex exhibits a E-2 state that undergoes a pseudo Jahn-Teller distortion in the adiabatic limit, modified by interactions with the solvent, and analysis gives approximate values of interaction energies. The experiments establish that [ Mo] N2 exhibits the low-spin [e(3)] electronic configuration, not [a(2)e(1)], with the a(z(2)) antibonding orbital substantially higher in energy than the e[xz, yz] orbitals.