Electronic Structure of Low-Spin Ferric Chlorins:  Characterization of Bis(dimethylphenylphosphine)(meso-tetraphenylchlorinato)iron(III) Triflate

NMR and EPR Studies of Chloroiron(III) Tetraphenyl-chlorin and Its Complexes with Imidazoles and Pyridines of Widely Differing Basicities

“…[1][2][3][4][5][6][7][8][9][10][11][12] There have been a number of previous studies of synthetic and natural iron chlorin and/or isobacteriochlorin complexes by magnetic resonance techniques, including the seminal paper of Stolzenberg, Strauss and Holm in 1981 13 and additional papers from these authors, 14-18 as well as other researchers. [19][20][21][22][23][24][25][26][27][28][29][30][31] Understanding the electronic properties of the iron(III) complexes of each of the individual "green" hemes is an important step in understanding their mechanisms of action.…”

Electronic Structure of Iron Chlorins: Characterization of Bis(l-valine methyl ester)(meso-tetraphenylchlorin)iron(III)triflate and Bis(l-valine methyl ester)(meso-tetraphenylchlorin)iron(II)

“…The pyrrole and pyrroline atoms are only slighly displaced above and below the mean plane of the chlorin [maximum displacement of 0.04(2) Å]. Thus, the conformation of the chlorin macrocycle can be 11 the ferrous octaethylchlorin (OEC)Fe [C-C distance ) 1.508(7) Å], 26 and with the µ-oxo complex [(TPC)Fe] 2 O [C-C distance ) 1.419(9) Å]. 28 The metal-nitrogen distance to the reduced pyrrole N(4), 2.034 (4) Å, is longer than the distances to nitrogen N(2) Table 3.…”

“…For the axial ligands and the pyrroles, the relative intensities and a comparison with the analogue porphyrin complex 33 determine the assignments. Although the resonance intensities are large, the shifts of the valine ester ligands are independent of the 11 are summarized in Table 4. The hyperfine shifts for symmetrical low-spin ferric porphyrins are known to consist of large contact shifts and smaller upfield dipolar shifts due to the magnetic anisotropy.…”

“…For the saturated pyrroline ring, the protons are expected to exhibit low-field π-contact shifts. 16 11 We used a medium value of 7.8 ppm for the chemical shifts of the diamagnetic pyrroles because the relative assignment was not possible at this stage d Chemical shift of the amino ester ligand complexed to a diamagnetic ruthenium porphyrin complex at 298 K with TMS as an internal reference. 53 e Isotropic shift of 1 with a diamagnetic bis(NH2CH(CO2CH3)(CH(CH3)2) Ru(II) complex as the reference.…”

Analysis of Molecular Structures, Spectroscopic Properties (FT-IR, Micro-Raman and UV-vis.) and Quantum Chemical Calculations of Free and Ligand Dimethyl Phenylphosphonite in Cd(II) Halide Complex

“…Likewise, the methyl methylphosphinate complexes of the first-row transition metals were synthesized and investigated using IR and UV spectroscopies by Mikulski et al [7]. Furthermore, the various compounds containing the derivatives of dimethyl phenylphosphonite have been investigated as a ligand in some metal halide complexes [8][9][10][11][12]. Very recently, anomalous reaction of ethylbromofluoro and difluoro acetates with dialkylphosphonites has been reported by Durst et al [13].…”