Accession Number : ADA132388

Title :   Synthesis, Structure and Magnetic Properties of Catena-Micron-Oxo-Hemiporphyrazinatoiron(IV), the First Polymeric Micron-Oxo-Bridged Complex of Iron.

Descriptive Note : Interim technical rept.,


Personal Author(s) : Hiller,Wolfgang ; Straehle,Joachim ; Datz,Armin ; Hanack,Michael ; Hatfield,William E

PDF Url : ADA132388

Report Date : 26 Aug 1983

Pagination or Media Count : 49

Abstract : The crystal and molecular structure of the compound catena-micron-oxo-hemiporphyrazinatoiron(IV), (Fe0N8C26H14n), has been determined from single-crystal, three-dimensional X-ray diffraction counter data. The compound crystalizes as blue-black needles in space group P2/n with Z = 2 and having unit cell dimensions (at 210 K) a = 16.090 (3) angstroms, b = 3.975 (2) angstroms, c = 16.070 (3) and beta = 92.97 (1). The structure was refined by full-matrix least-squares techniques to a conventional R value of 0.054. Distorted hemiporphyrazinatoiron units stack along the b axis and are linked into polymeric, uniformly spaced, linear chains by axially-bound oxygen bridges. The oxygen atoms are disordered into two crystallographically distinct sites lying about a central location which is normal to the C2 axis collinear with the chain. The Fe-0-Fe angles are 158.2 and 170.5, and the Fe-0 bond distances range from 1.973 angstroms to 2.030 angstroms, Mossbauer spectral studies at 4.2 K, room temperature and at 420 K reveal that there are two iron sites in the chain as a result of the disorder of the oxygen atoms, and the spectrum is essentially temperature independent. Magnetic susceptibility studies reveal that the iron ions are antiferromagnetically coupled in an alternating chain with J = -133 per cm, g = 2.3 and an alternation parameter of 0.4.

Descriptors :   *Iron organic compounds, *Polymers, *Synthesis(Chemistry), Metal complexes, Molecular structure, Magnetic properties, Mossbauer effect, Crystal structure, Oxidation, Chains, Electromagnetic susceptibility, Statistical analysis

Subject Categories : Polymer Chemistry

Distribution Statement : APPROVED FOR PUBLIC RELEASE