Heptanuclear iron(III) pivalate based on toluyldiethanolamine
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PODGORNÎI, Daniel, KRAVTSOV, Victor, BACA, Svetlana. Heptanuclear iron(III) pivalate based on toluyldiethanolamine. In: Achievements and perspectives of modern chemistry, 9-11 octombrie 2019, Chişinău. Chisinau, Republic of Moldova: Tipografia Academiei de Ştiinţe a Moldovei, 2019, p. 137. ISBN 978-9975-62-428-2.
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Achievements and perspectives of modern chemistry 2019
Conferința "International Conference "Achievements and perspectives of modern chemistry""
Chişinău, Moldova, 9-11 octombrie 2019

Heptanuclear iron(III) pivalate based on toluyldiethanolamine


Pag. 137-137

Podgornîi Daniel12, Kravtsov Victor1, Baca Svetlana1
 
1 Institute of Applied Physics,
2 State University „Dimitrie Cantemir”
 
 
Disponibil în IBN: 7 noiembrie 2019


Rezumat

Magnetic clusters with odd number of metal ions attract attention as promising molecular magnetic material for current and future applications. Phenomenon of spin frustration may lead to uncompensated magnetic moment in such systems. Herein we report synthesis and structural characterization of new heptanuclear iron compound based on pivalic acid (Hpiv) and toluyldiethanolamine (tdeaH2) ligands, namely [Fe7O3(piv)9(tdea)3(H2O)3] (1). The compound 1 was obtained by ultasonication of acetonitrile solution of m-oxo trinuclear iron pivalate cluster and tdeaH2 ligand. Single crystal X-ray diffraction analysis revealed that this compound crystalizes in triclinic space group with a = 12.2843(2); b= 15.6151(7); c= 28.582(2) Å; a = 97.321(4)o; b = 97.194(3)o; y = 100.278(3)o; V = 5288.7(3) Å3. The inorganic core of 1 consists of seven Fe(III) atoms linked by three m3-O2– atoms. Six bridging pivalate moieties, three bridging double deprotonated tdea2– ligands, three pivalate ligands with a monodentate coordination and three terminal water molecules completed the coordination spheres of Fe atoms. Six peripheral metal atoms reside in the vertexes of trigonal antiprism with one base (Fe1, Fe3, and Fe5) capped by Fe7 atom, which is displaced on 0.308 Å from this base. Structure of 1 Compound 1 possesses C3 molecular symmetry. All metals centers are hexacoordinated, revealing a distorted octahedral O6 or NO5 coordination polyhedrons. Atom Fe(7) is coordinated by three m3-O2–ions and three oxygen atoms from three tdea2– ligands, each of atoms Fe(1), Fe(3) and Fe(5) reveals NO5 coordination surrounding made up by one m3-O2–anion, two O atoms and one N atom from a tdea2– ligand, and two O atoms from two bridging pivalates ligands. The atoms Fe(2), Fe(4) and Fe(6) of the second base of antiprism reveal O6 donor set derived from one m3-O2–anion, one O atom from the monodentate pivalate ligand, one O atom from the branch of tdea2– ligand, two O atoms from two bridging pivalates, and one O atom from a water molecule. The shortest Fe…Fe distances 2.982(1)-2.986(1) Å were found between Fe(7) and iron atoms from the base it capped, the distances between Fe(7) and iron atoms from the another base or between irons atom of different bases are in the range 3.244(1) – 3.580(1) Å. The Fe…Fe distances in the bases of antiprism are essentially longer and fit in the interval 5.008(1)-5.162(1) Å. The coordinated water molecules form strong intramolecular hydrogen bonds (O-H…O 2.546-2.568 Å) with non-coordinated oxygen atoms of monodentate pivalate ligands and weaker H-bonds (O-H…O 2.991-3.139 Å) between themselves.