Synthesis, structure, and characterization of dichloro-(1-benzyl-4-acetato-1,4,7-triazacyclononane)Iron(III)

Malkhasian AYS; Finch ME; Pawlak PL; Anderson JM; Brennessel WW; Chavez FA

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Synthesis, structure, and characterization of dichloro-(1-benzyl-4-acetato-1,4,7-triazacyclononane)Iron(III)

机译：二氯-（1-苄基-4-乙酰基-1,4,7-三氮杂环壬烷）铁（III）的合成，结构和表征

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The synthesis, structure and aqueous solution behavior of [(FeLCl2)-Cl-I] (1, L-1 = 1-benzyl-4-acetato-1,4,7-triazacyclononane) is reported. The X-ray structure of 1 reveals iron(III) in distorted octahedral geometry bonded to three amine nitrogen atoms and one carboxylate oxygen atom along with two cis chloride atoms. Electrochemical measurements of I in acetonitrile indicate that E-1/2 = -200mV vs Ag/AgCl. The stability of the +3 oxidation state is attributed to the hard N-amine and carboxylate ligand donors. In acetonitrile, I is mononuclear and has an S = 5/2 spin state. The presence of a mu-oxo bridge upon dissolution of I in water is supported by EPR and solution magnetic susceptibility NMR studies. pH-metric titrations and UV-vis studies indicate the presence of a total of four acidic protons. At low pH, L-1(OH2)Fe-O-Fe(OH2)L-1 is proposed to be stabilized while at high pH, L-1(OH)Fe-O-Fe(OH)L-1 is suggested to persist.

机译：报道了[（FeLCl2）-Cl-1]（1，L-1 = 1-苄基-4-乙酰基-1,4,7-三氮杂环壬烷）的合成，结构和水溶液行为。 1的X射线结构显示出扭曲的八面体几何形状的铁（III）与三个胺氮原子和一个羧基氧原子以及两个顺式氯原子结合。乙腈中I的电化学测量表明，相对于Ag / AgCl，E-1 / 2 = -200mV。 +3氧化态的稳定性归因于硬N-胺和羧酸酯配体供体。在乙腈中，I是单核的，并且具有S = 5/2的自旋态。 EPR和溶液磁化率NMR研究支持了I溶解在水中时mu-oxo桥的存在。 pH滴定法和UV-vis研究表明总共存在四个酸性质子。建议在低pH下稳定L-1（OH2）Fe-O-Fe（OH2）L-1，而在高pH下建议L-1（OH）Fe-O-Fe（OH）L-1坚持下去。

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《Zeitschrift fur Anorganische und Allgemeine Chemie》 |2008年第7期|共6页
作者
Malkhasian AYS; Finch ME; Pawlak PL; Anderson JM; Brennessel WW; Chavez FA;
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正文语种 eng
中图分类化学;
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iron; spectroscopy; crystal structure; electrochemistry; magnetic susceptibility; CONTAINING QUERCETIN 2; 3-DIOXYGENASE; CRYSTAL-STRUCTURES; SUPEROXIDE-DISMUTASE; BACILLUS-SUBTILIS; CATALYTIC-OXIDATION; DIIRON COMPLEXES; LIGAND STRUCTURE; IRON COMPLEXES; ACTIVE-SITE; MONONUCLEAR;

机译：铁;光谱学;晶体结构;电化学;磁化率;含槲皮素2;3-二氧合酶;晶体结构;超氧化物歧化酶;芽孢杆菌-取代基;催化氧化;迪隆络合物;配体结构;铁络合物;活性;

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Synthesis, structure, and characterization of dichloro-(1-benzyl-4-acetato-1,4,7-triazacyclononane)Iron(III)

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