Iron complex geometry

Iron cobalt chromite black spinel, formula and DCMA number, 7 348t Iron(II) complexes, 14 530-531 Iron complex geometries, 14 531 Iron compounds, 14 530-561... 

A mononuclear diastereopure high-spin Fe alkylperoxo complex with a pen-tadentate N,N,N,0,0-ligand 33 (Scheme 17) was reported by Klein Gebbink and coworkers [109, 110]. The complex is characterized by unusual seven-coordinate geometry. However, in the oxidation of ethylbenzene the iron complex with 33 and TBHP yielded with large excess of substrate only low TON s (4) and low ee (6.5%) of 1-phenylethanol. 

By analogy with iron complexes, let us discuss the tetrachlorocobalt-ate(II) dianion [C0CI4]2-, the tetrahedral geometry of which is illustrated in Figure 80.123... 

To illustrate the effect of geometry on the Cl shift. Table IV shows some data for several pairs of high spin tetrahedral and octahedral iron complex ions. In each case the shift of tetrahedral ion is more negative than that of the octahedral ion, and the difference in shift is rather substantial. We feel that in these cases the differences in shifts can be ascribed to differences in 4 covalency six electronegative ligands are more able to draw off 5 electron density than are four. Apparently it makes little difference whether the six ligands belong exclusively to a... 

The geometry of the ferrous iron is trigonal bipyramidal. Thus, this structure confirms the tendency of iron complexes to coordination numbers higher than four. The two N-donors and one of the carboxylates of 5 occupy the equatorial positions. In good agreement... 

The local version of EHCF method was implemented and used for the analysis of the molecular geometries of complexes of iron (II) in works [29, 148,149]. The satisfactory agreement in the description of complexes geometry with different total spins is achieved when the effect of electrostatic field of the metal ion on the ligands is taken into account through the electrostatic polarization of the ligands. Satisfactory estimates of parameters... 

NEt4][MoO(S-4-tolyl)4] reacts with A-(2-hydroxybenzyl)-2-mercaptoaniline (H3hbma) to yield [NEt4][Mo(hbma)2], the anions of which possess a highly distorted, all-irons, octahedral geometry. Cyclic voltammetry has been used to demonstrate reversible one-electron oxidation and reduction processes for this complex.309... 

Muindi JRF, Sinha BK, Gianni L, Myers CE (1984) Hydroxyl radical production and DNA damage induced by anthracycline-iron complex. FEBS Lett 172 226-230 Mujica V, Nitzan A, Mao Y, Davis W, Kemp M, Roitberg A, Ratner MA (1999) Electron transfer in molecules and molecular wires geometry dependence, coherent transfer, and control. In Jortner J, Bixon M (eds) Electron transfer From isolated molecules to biomolecules. Part Two, Advances in Chemical Physics Series, Vol 107. Wiley, New York, pp 403-428 Mullenger L, Ormerod MG (1969) The radiosensitization of Micrococcus sodonensis by N-ethyl ma-leimide. Int J Radiat Biol 15 259-269... 

Comparison of the tropone ring geometry in iron complex 282 with that of the parent tropone shows that the double bond character of the carbonyl group and the bond between C-2 and C-3 in 282 is even higher, probably as a result of dominant contributions from two cyclobutadiene resonance... 

In both compounds the iron atom geometries can be described as intermediate between octahedral and bicapped tetrahedral, but in the hydrido complex the H-Fe-H bond angle is 100°, whereas the Au-Fe-Au bond angle is only 73°. This smaller angle leads to an Au-Au distance of3.028(1) A, which is indicative of a weak interaction between the gold atoms. 

The structure of the di-iron complex [Fe2( i, r 3, r 3-BH6)(PEt3)6] (127) contains a boron atom in the octahedral environment of 6 equiv. hydrides capped on the opposite facets by two iron atoms.199 Thus, neglecting the second iron center, the geometry is very reminiscent of the complex 125. DFT calculations supplemented by an AIM study confirmed the presence of six H-B interactions and direct Fe B bonds. The structure was considered as containing a boron trication B3+ sandwiched between two anions [Fe(H)3(PEt3)3]. ... 

Table 1 Selected Examples of Iron Complexes Illustrating the Range of Oxidation States and Coordination Geometries...

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