Novel approaches to model-free analysis of lanthanide-induced shifts, targeted to the investigation of contact term behavior

Martynov A.G.; Gorbunova Y.G.; Tsivadze A.Y.

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Novel approaches to model-free analysis of lanthanide-induced shifts, targeted to the investigation of contact term behavior

机译：针对镧系元素引起的位移进行无模型分析的新方法，旨在研究接触词行为

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Three novel equations were proposed to perform graphical model-free analysis of lanthanide-induced shifts in NMR spectra of axially symmetrical complexes within Bleaney's T-~2 expansion. Application and efficiency of these newly developed approaches were demonstrated on the example of heteroleptic triple-decker crown-phthalocyaninates (Pc)M[(15C5) _4Pc]M(Pc), where (15C5) - 15-crown-5, (Pc~(2-)) - phthalocyaninato-dianion, M = Nd, Sm, Eu, Tb, Dy, Ho, Er, Tm, Yb and Y as diamagnetic reference. By construction of these equations, the proposed analytical techniques are more sensitive to variations of hyperfine coupling terms throughout lanthanide series, in comparison with previously developed approaches, becoming a valuable tool for the investigation of structural and electronic characteristics of lanthanide complexes.

机译：提出了三个新的方程式，用于在Bleaney的T-〜2展开范围内对镧系元素诱导的轴对称配合物NMR光谱的NMR位移进行无图形分析。这些新开发的方法的应用和效率以杂配三层冠酞菁（Pc）M [（15C5）_4Pc] M（Pc）为例进行了论证，其中（15C5）-15-crown-5，（Pc〜（2-））-酞菁阴离子，M = Nd，Sm，Eu，Tb，Dy，Ho，Er，Tm，Yb和Y作为抗磁性参考。通过构建这些方程，与先前开发的方法相比，所提出的分析技术对整个镧系系列中的超精细偶合项的变化更加敏感，成为研究镧系元素络合物的结构和电子特性的有价值的工具。

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《Dalton transactions: An international journal of inorganic chemistry》 |2011年第27期|共7页
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Martynov A.G.; Gorbunova Y.G.; Tsivadze A.Y.;
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1. Novel approaches to model-free analysis of lanthanide-induced shifts, targeted to the investigation of contact term behavior [J] . Martynov A.G., Gorbunova Y.G., Tsivadze A.Y. Dalton transactions: An international journal of inorganic chemistry . 2011,第27期

机译：针对镧系元素引起的位移进行无模型分析的新方法，旨在研究接触词行为
2. Complete assignment of Ala, Ile, Leu, Met and Val methyl groups of human blood group A and B glycosyltransferases using lanthanide-induced pseudocontact shifts and methyl-methyl NOESY [J] . Fluegge Friedemann, Peters Thomas Journal of Biomolecular NMR . 2018,第4期

机译：使用镧系元素诱导的伪变换和甲基 - 甲基Noesy，完成人血液组A和B糖基转移酶A和B糖基转移酶的ALA，ILE，LEU，MET和VAL甲基的完整分配
3. Sequence-specific assignment of methyl groups from the neuronal SNARE complex using lanthanide-induced pseudocontact shifts [J] . Pan Yun-Zu, Quade Bradley, Brewer Kyle D., Journal of Biomolecular NMR . 2016,第4期

机译：使用镧系元素诱导的伪接触转移从神经元SNARE复合物中对甲基进行序列特异性分配
4. Investigations on the contact- and long-term behavior of connections with cylindrical aluminum conductors for high-current devices [C] . Alexander Ramonat, Stephan Schlegel, Steffen Großmann, International Youth Conference on Energy . 2017

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5. A thermodynamic investigation of indium-transition metal ohmic contacts to n-type gallium arsenide, and an overview of the thermochemical behavior of quaternary gallium-indium-(transition or noble metal)-arsenic systems. [D] . Swenson, Douglas James. 1994

机译：铟过渡金属与n型砷化镓的欧姆接触的热力学研究，以及季镓-铟-（过渡或贵金属）-砷体系的热化学行为概述。
6. Sequence-specific assignment of methyl groups from the neuronal SNARE complex using lanthanide-induced pseudocontact shifts [O] . Yun-Zu Pan, Bradley Quade, Kyle D. Brewer, -1

机译：使用镧系元素诱导的伪接触位移从神经元SNARE复合物中对甲基进行序列特异性分配
7. EVIDENCE FOR THE PRESENCE OF CONTACT TERM CONTRIBUTION TO LANTHANIDE-INDUCED ISOTROPIC SHIFTS IN13C AND19F NMR SPECTRA OF ALIPHATIC COMPOUNDS: CAUTION FOR APPLICATIONS OF LANTHANIDE SHIFT REAGENTS [O] . Masatsune Kainosho, Katsumi Ajisaka, Kazuo Tori 1972

机译：存在与镧诱导的各向同性移位的接触术语贡献的证据In13C和19F脂族化合物的NMR光谱：小心用于镧系叶片转移试剂的应用

Novel approaches to model-free analysis of lanthanide-induced shifts, targeted to the investigation of contact term behavior

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