In:
The Journal of Chemical Physics, AIP Publishing, Vol. 78, No. 5 ( 1983-03-01), p. 2561-2567
Abstract:
Mössbauer spectra of a polycrystalline form of the six-coordinate high-spin ferrous compound (meso-tetraphenylporphinato) bis(tetrahydrofuran) iron (II) have been recorded over a range of temperatures (4.2–195 K) and magnetic fields (0–6.0 T). Analysis of the spectra using a phenomenological model of the internal magnetic field and using an S=2 spin Hamiltonian, where applicable, yield the sign of Vzz negative, η=0.4, D=6.0 cm−1, E/D=0.1, and Ã*/g*N βN =(−7.2, −7.2, and −24.3 T). These results suggest that the iron experiences an octahedral crystal field, trigonally distorted in the (1, 1, 1) direction, producing a prolate orbital dz2 as the ground state. Crystal field calculations confirm this interpretation by reproducing the spin Hamiltonian parameters listed above. The calculation predicts an orbital doublet 1667 cm−1 above the ground state. Comparisons with deoxyheme proteins and their synthetic analogs suggest some common gross features of the orbital state and structure-related trends in the character of the ground quintet.
Type of Medium:
Online Resource
ISSN:
0021-9606
,
1089-7690
Language:
English
Publisher:
AIP Publishing
Publication Date:
1983
detail.hit.zdb_id:
3113-6
detail.hit.zdb_id:
1473050-9
Permalink