Structural and functional aspects of metal sites in biology

RH Holm, P Kennepohl, EI Solomon - Chemical reviews, 1996 - ACS Publications
The field of bioinorganic chemistry is at a propitious stage of development. Ever more
complex metallobiomolecules are isolated and purified, physical methodologies and …

Stable Two-Coordinate, Open-Shell (d1–d9) Transition Metal Complexes

PP Power - Chemical Reviews, 2012 - ACS Publications
1. INTRODUCTION Stable, open-shell (d1− d9) transition metal complexes in which the
metal is two-coordinate or quasi-two-coordinate are among the rarest and least investigated …

Developments in the biomimetic chemistry of cubane-type and higher nuclearity iron–sulfur clusters

SC Lee, W Lo, RH Holm - Chemical reviews, 2014 - ACS Publications
These can be considered substituted versions of all-iron 36. Although MFe3S4 cores depart
from the familiar and efficient idealized symmetry of the Fe4S4 cubane structure, the …

Quantum chemical studies of intermediates and reaction pathways in selected enzymes and catalytic synthetic systems

L Noodleman, T Lovell, WG Han, J Li, F Himo - Chemical reviews, 2004 - ACS Publications
Metalloenzymes catalyze many difficult and critical reactions in biological systems. 1 The
ability of these biological catalysts to perform these reactions under mild conditions with …

Electronic structure and slow magnetic relaxation of low-coordinate cyclic alkyl (amino) carbene stabilized iron (I) complexes

PP Samuel, KC Mondal, N Amin Sk… - Journal of the …, 2014 - ACS Publications
Cyclic alkyl (amino) carbene stabilized two-and three-coordinate Fe (I) complexes,(cAAC)
2FeCl (2) and [(cAAC) 2Fe][B (C6F5) 4](3), respectively, were prepared and thoroughly …

Slow Magnetic Relaxation in Trigonal-Planar Mononuclear Fe (II) and Co (II) Bis (trimethylsilyl) amido Complexes A Comparative Study

A Eichhöfer, Y Lan, V Mereacre… - Inorganic …, 2014 - ACS Publications
Alternating current magnetic investigations on the trigonal-planar high-spin Co2+ complexes
[Li (15-crown-5)][Co {N (SiMe3) 2} 3],[Co {N (SiMe3) 2} 2 (THF)](THF= tetrahydrofuran), and …

Performance of Nonrelativistic and Quasi-Relativistic Hybrid DFT for the Prediction of Electric and Magnetic Hyperfine Parameters in 57Fe Mössbauer Spectra

S Sinnecker, LD Slep, E Bill, F Neese - Inorganic chemistry, 2005 - ACS Publications
57Fe electric and magnetic hyperfine parameters were calculated for a series of 10 iron
model complexes, covering a wide range of oxidation and spin states. Employing the B3LYP …

Electronically unsaturated three-coordinate chloride and methyl complexes of iron, cobalt, and nickel

PL Holland, TR Cundari, LL Perez… - Journal of the …, 2002 - ACS Publications
Three-coordinate organometallic complexes are rare, especially with the prototypical methyl
ligand. Using a hindered, rigid bidentate ligand (L), it is possible to create 12-electron …

FeMo Cofactor of Nitrogenase:  A Density Functional Study of States MN, MOX, MR, and MI

T Lovell, J Li, T Liu, DA Case… - Journal of the American …, 2001 - ACS Publications
The MN S= 3/2 resting state of the FeMo cofactor of nitrogenase has been proposed to have
metal-ion valencies of either Mo4+ 6Fe2+ Fe3+ (derived from metal hyperfine interactions) …

Planar Three-Coordinate High-Spin FeII Complexes with Large Orbital Angular Momentum:  Mössbauer, Electron Paramagnetic Resonance, and Electronic …

H Andres, EL Bominaar, JM Smith… - Journal of the …, 2002 - ACS Publications
Mössbauer spectra of [LFeIIX] 0 (L= β-diketiminate; X= Cl-, CH3-, NHTol-, NHtBu-), 1. X,
were recorded between 4.2 and 200 K in applied magnetic fields up to 8.0 T. A spin …