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Unexpected change in NOE with increasing temperature: Crosstalk between chemical exchange and cross relaxation in a NiN2S2 complex
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2018-11-10 , DOI: 10.1016/j.cplett.2018.11.010
Ryan J. Dougherty , Melissa L. Golden , V.V. Krishnan

Typically, with increasing sample temperature the rotational correlation time of the molecule decreases, leading to a decrease in the relative nuclear Overhauser effect (NOE) enhancement. In characterizing the (O-ethyl-L-cysteinato)-Ni(II) in the solution state, the measured NOE enhancement increases with increasing sample temperature. This unexpected change is explained via crosstalk between nuclear spin cross relaxation and an additional chemical exchange phenomenon between the amino protons of the molecule. The case study using a relaxation matrix approach, with both cross relaxation and chemical exchange, could be essential to understanding a metal complex with a bidentate amino acid derived ligands.



中文翻译:

NOE随温度升高发生意外变化:NiN 2 S 2络合物中化学交换与交叉弛豫之间的串扰

通常,随着样品温度的升高,分子的旋转相关时间减少,从而导致相对的核Overhauser效应(NOE)增强作用降低。在表征溶液状态下的(O-乙基-L-半胱氨酸)-Ni(II)时,测得的NOE增强随着样品温度的升高而增加。这种意外的变化是通过核自旋交叉弛豫与分子的氨基质子之间的其他化学交换现象之间的串扰来解释的。使用具有交叉弛豫和化学交换的弛豫矩阵方法的案例研究对于理解具有双齿氨基酸衍生配体的金属配合物可能是必不可少的。

更新日期:2018-11-10
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