Electronic structure determination of iron(II) phthalocyanine via magnetic susceptibility and Mössbauer measurements

Abstract

Articles you may be interested inElectronic structure determination and dynamical properties of iron (II)guanosine5'monophosphate complex via mossbauer and magnetic susceptibility measurements J. Chem. Phys. 92, 6131 (1990); 10.1063/1.458336 Electron density studies of porphyrins and phthalocyanines. IV. Electron density distribution in crystals of (meso tetraphenylporphinato) iron(II) J. Chem. Phys. 84, 6969 (1986); 10.1063/1.450617 Electron density studies of porphyrins and phthalocyanines. III. The electronic ground state of iron(II) phthalocyanine J. Chem. Phys. 81, 1983 (1984); 10.1063/1.447821 Spin S = 1 in sixcoordinated iron(II): Lowtemperature magnetism, Mössbauer effect, and electronic structureMossbauer and magnetic susceptibility measurements of iron(lI) phthalocyanine in the temperature range between 77 and 300 K have been c::.:ried out. The crystal field parameters and the electronic structure of the Fe(lI) ion have been obtained using a least-squares fitting procedure of the dependence on the temperature of both magnetic susceptibility and quadrupole splitting. It is concluded that the ground state has major 3 A character.

An Isolated Molecule of Iron(II) Phthalocyanin Exhibits Quintet Ground‐State: A Nexus between Theory and Experiment

“…The recorded 57 Fe Mössbauer spectra (see Supporting Information for experimental details) of FePc in crystalline form and in chlorobenzene (Figure , Table ) can be well fitted with one doublet component with the values of the isomer shift ( δ ) and quadrupole splitting (Δ E Q ) typical for Fe II showing that the oxidation state of the central atom is preserved in both systems. Previous studies on FePc in powder form reported the ground‐state as a mixture of doublet and triplet states resulting from electron transfer between the Fe and the surrounding ligands . In the present experiment, the δ and Δ E Q values lie in the boundary between singlet and triplet and change dramatically in less polar monochlorobenzene, demonstrating a stabilization of the quintet.…”

“…Previous studies on FePc in powder form reported the groundstate as am ixture of doublet and triplet states resulting from electron transfer between the Fe and the surrounding li-gands. [27,61] In the present experiment, the d and DE Q values lie in the boundary between singlet andt riplet andc hange dramatically in less polar monochlorobenzene, demonstrating a stabilization of the quintet. Similar values of d and DE Q were observed previously in ferrous halides with quintet ground state.…”

Magnetic properties ofα-iron(II) phthalocyanine

“…This is the same spin state as found in β-FePc [4]. Indeed, both compounds have identical magnetic properties at room temperature, which arise from a similarly split triplet [D/k B ≃ 53 K and 98 K, for α and β-form, respectively (see below)] with the non-magnetic singlet as the ground state [15].…”

Mössbauer study of the hyperfine interactions and spin dynamics inα-iron(II) phthalocyanine

“…Thirty years ago, a remarkable number of Mössbauer, [15][16][17][18] magnetic, 13,19 and structural 20,21 investigations were performed on FePc, but it has to be noticed that the quoted data have shown a quite large dispersion range of the reported values and properties. Most of them, when not certainly identified, were performed on ␤-FePc samples.…”