Synthesis, Characterization, and Study of Octanuclear Iron-Oxo Clusters Containing a Redox-Active Fe4O4-Cubane Core

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F08%3A00009950" target="_blank" >RIV/61989592:15310/08:00009950 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Synthesis, Characterization, and Study of Octanuclear Iron-Oxo Clusters Containing a Redox-Active Fe4O4-Cubane Core

Popis výsledku v původním jazyce

A one-pot synthetic procedure yields the octanuclear FeIII complexes Fe8(?4-O)4(?-pz*)12X4, where X = Cl and pz* = pyrazolate anion (pz = C3H3N2-) (1), 4-Cl-pz (2), and 4-Me-pz (3) or X = Br and pz* = pz (4). The crystal structures of complexes 1-4, determined by X-ray diffraction, show an Fe4O4-cubane core encapsulated in a shell composed of four interwoven Fe(?-pz*)3X units. Complexes 1-4 have been characterized by 1H NMR, infrared, and Raman spectroscopies. Mössbauer spectroscopic analysis distinguishes the cubane and outer FeIII centers by their different isomer shift and quadrupole splitting values. Electrochemical analyses by cyclic voltammetry show four consecutive, closely spaced, reversible reduction processes for each of the four complexes. Magnetic susceptibility studies, corroborated by density functional theory calculations, reveal weak antiferromagnetic coupling among the four cubane Fe centers and strong antiferromagnetic coupling between cubane and outer Fe atoms of 1.

Název v anglickém jazyce

Synthesis, Characterization, and Study of Octanuclear Iron-Oxo Clusters Containing a Redox-Active Fe4O4-Cubane Core

Popis výsledku anglicky

A one-pot synthetic procedure yields the octanuclear FeIII complexes Fe8(?4-O)4(?-pz*)12X4, where X = Cl and pz* = pyrazolate anion (pz = C3H3N2-) (1), 4-Cl-pz (2), and 4-Me-pz (3) or X = Br and pz* = pz (4). The crystal structures of complexes 1-4, determined by X-ray diffraction, show an Fe4O4-cubane core encapsulated in a shell composed of four interwoven Fe(?-pz*)3X units. Complexes 1-4 have been characterized by 1H NMR, infrared, and Raman spectroscopies. Mössbauer spectroscopic analysis distinguishes the cubane and outer FeIII centers by their different isomer shift and quadrupole splitting values. Electrochemical analyses by cyclic voltammetry show four consecutive, closely spaced, reversible reduction processes for each of the four complexes. Magnetic susceptibility studies, corroborated by density functional theory calculations, reveal weak antiferromagnetic coupling among the four cubane Fe centers and strong antiferromagnetic coupling between cubane and outer Fe atoms of 1.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CA - Anorganická chemie

OECD FORD obor

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Projekt

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Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)<br>S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2008

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Inorganic Chemistry

ISSN

0020-1669

e-ISSN

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Svazek periodika

47

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

11

Strana od-do

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Kód UT WoS článku

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EID výsledku v databázi Scopus

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