A five-coordinate manganese(III) complex of a salen type ligand with a positive axial anisotropy parameter D

Shova Sergiu; Vlad Angelica; Cazacu Maria; Krzystek J.; Bucinsky Lukas; Breza Martin; Darvasiova Denisa; Rapta Peter; Cano Joan; Telser Joshua; Arion Vladimir B.

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A five-coordinate manganese(III) complex of a salen type ligand with a positive axial anisotropy parameter D

机译：一种盐型配体的五坐标锰（III）络合物，具有正轴向各向异性参数D.

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A new high-spin d(4) roughly trigonal-bipyramidal (TBP) manganese(III) complex with a salen type ligand (H2L), namely MnL(NCS)center dot 0.4H(2)O, has been synthesised and characterised by elemental analysis, ESI mass spectrometry, IR and UV-vis spectroscopy, and spectroelectrochemistry. X-ray diffraction analysis revealed an axial compression of the approximate TBP. Temperature dependent magnetic susceptibility and variable-temperature variable-field (VTVH) magnetisation measurements, as well as high-frequency and -field EPR (HFEPR) spectroscopy, were used to accurately describe the magnetic properties of this complex and, in particular, determine the spin Hamiltonian parameters: g-values and the zero-field splitting (ZFS) parameters D and E. The HFEPR spectra allowed the extraction of fourth order ZFS parameters. Quantum chemical calculations reproduced well the electronic and geometric structures of this unusual complex and, in particular, its electronic absorption spectrum along with the spin Hamiltonian parameters.

机译：具有盐型配体（H2L）的新的高旋转D（4）大致Thonal-Bibermidal（TBP）锰（III）络合物，即MnL（NCS）中心点0.4H（2）O，并通过元素分析，ESI质谱，IR和UV-Vis光谱，以及光谱电化学。 X射线衍射分析显示近似TBP的轴向压缩。温度依赖性磁化率和可变温度可变场（VTVH）磁化测量以及高频和 - 菲尔德EPR（HFEPR）光谱，用于精确描述该复合物的磁性，特别是确定Spin Hamiltonian参数：G值和零场拆分（ZFS）参数D和E. HFEPR光谱允许提取四阶ZFS参数。量子化学计算再现了这种不寻常的复合物的电子和几何结构，特别是其电子吸收光谱以及自旋哈密顿参数。

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《Dalton transactions: An international journal of inorganic chemistry》 |2017年第35期|共13页
作者
Shova Sergiu; Vlad Angelica; Cazacu Maria; Krzystek J.; Bucinsky Lukas; Breza Martin; Darvasiova Denisa; Rapta Peter; Cano Joan; Telser Joshua; Arion Vladimir B.;
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Petru Poni Inst Macromol Chem Inorgan Polymers Dept Aleea Gr Ghica Voda 41 A Iasi 700487 Romania;

Petru Poni Inst Macromol Chem Inorgan Polymers Dept Aleea Gr Ghica Voda 41 A Iasi 700487 Romania;

Petru Poni Inst Macromol Chem Inorgan Polymers Dept Aleea Gr Ghica Voda 41 A Iasi 700487 Romania;

Florida State Univ Natl High Magnet Field Lab Tallahassee FL 32310 USA;

Slovak Univ Technol Bratislava Inst Phys Chem &

Chem Phys Radlinskeho 9 Bratislava 81237 Slovakia;

Slovak Univ Technol Bratislava Inst Phys Chem &

Chem Phys Radlinskeho 9 Bratislava 81237 Slovakia;

Slovak Univ Technol Bratislava Inst Phys Chem &

Chem Phys Radlinskeho 9 Bratislava 81237 Slovakia;

Slovak Univ Technol Bratislava Inst Phys Chem &

Chem Phys Radlinskeho 9 Bratislava 81237 Slovakia;

Univ Valencia Inst Ciencia Mol Catectratico Jose Baltran Martinez 2 Paterna 46980 Spain;

Roosevelt Univ Dept Biol Chem &

Phys Sci 430 S Michigan Ave Chicago IL 10605 USA;

Univ Vienna Inst Inorgan Chem Wahringer Str 42 A-1090 Vienna Austria;

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1. A five-coordinate manganese(III) complex of a salen type ligand with a positive axial anisotropy parameter D [J] . Shova Sergiu, Vlad Angelica, Cazacu Maria, Dalton transactions: An international journal of inorganic chemistry . 2017,第35期

机译：一种盐型配体的五坐标锰（III）络合物，具有正轴向各向异性参数D.
2. Comparative Spectroscopic Studies of Iron(III) and Manganese(III) Salen Complexes Having a Weakly Coordinating Triflate Axial Ligand [J] . Kurahashi Takuya, Fujii Hiroshi Bulletin of the Chemical Society of Japan . 2012,第9期

机译：铁（III）和锰（III）锰（III）的比较光谱研究，其具有弱协调的Triflate轴配体
3. Conformational Analysis of Cationic (R,S)- and (R,R)-(Salen)manganese Complexes Possessing Axial Chirality as a Chiral Element Based on X-ray Crystallography: An Explanation of the Effect of apical Ligand on Enantioselection by (Salen)manganese Catal [J] . Takashi Hashihayata, T. Punniyamurthy, Ryo Irie, Tetrahedron . 1999,第51期

机译：基于X射线晶体学的阳离子（R，S）-和（R，R）-（Salen）锰配合物具有轴向手性作为手性元素的构象分析：顶端配体对（Salen）对映体的影响的解释锰催化剂
4. Effect of Structure of Polymeric Nickel Complexes with Salen-Type Ligands on The Stability in Solutions of Water-Containing Electrolytes and The Charge Transfer Parameters [C] . E. V. Alekseeva, M. V. Novogilova, V. A. Ershov International Conference on Advanced Batteries, Accumulators and Fuel Cells . 2018

机译：聚合物镍络合物与盐型配体结构对含水电解质溶液稳定性的影响及电荷转移参数
5. MANGANESE(II) AND COBALT(III) COMPLEXES OF MULTIDENTATE LIGANDS: I. MANGANESE(II) COMPLEXES OF A MACROCYCLIC PENTADENTATE LIGAND. II. COBALT(III) COMPLEXES OF LINEAR TETRAMINE LIGANDS. [D] . HAMILTON, HOBART GORDON, JR. 1968

机译：多齿配体的锰（II）和钴（III）配合物：I.大环戊二烯配体的锰（II）配合物。二。线性叔丁胺配体的钴（III）配合物。
6. Cytotoxic (salen)ruthenium(iii) anticancer complexes exhibit different modes of cell death directed by axial ligands [O] . Cai Li, Kwok-Wa Ip, Wai-Lun Man, 2018

机译：细胞毒性（salen）钌（iii）抗癌复合物表现出由轴向配体指导的不同细胞死亡方式
7. A five-coordinate manganese(iii) complex of a salen type ligand with a positive axial anisotropy parameter D [O] . Shova, Sergiu, Inorganic Polymers Department, “Petru Poni” Institute of Macromolecular Chemistry, Vlad, Angelica, 2017

机译：轴各向异性参数D为正的salen型配体的五坐标锰（iii）配合物
8. Manganese(II) and Manganese(III) Complexes of Linear Pentadentate Schiff Base Ligands [R] . Coleman, W. M. 1980

机译：线性五齿schiff碱配体的锰（II）和锰（III）配合物

A five-coordinate manganese(III) complex of a salen type ligand with a positive axial anisotropy parameter D

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