Organometallics versus P4 Complexes of Group 11 Cations: Periodic Trends and Relativistic Effects in the Involvement of (n-1)d, ns, and np Orbitals in Metal-Ligand Interactions
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We have calculated the maximally localized Wannier functions of MnO in its antiferromagnetic (AFM) rhombohedral unit cell, which contains two formula units. Electron Bloch functions are obtained with the linearized-augmented-plane-wave method within both t ...
The photophysical properties of the triple-stranded dimetallic helicates [Ln2(LC−2H)3]·H2O (Ln = Nd, Sm, Dy, Yb) are determined in water and D2O solutions, and energy transfer processes are modeled for SmIII. The luminescence of NdIII, SmIII, and YbIII is ...
For the low-spin t2g6 Ru(OH2)62+ (ΔV⧧ = −0.4 cm3 mol-1) and Rh(OH2)63+ (ΔV⧧ = −4.2 cm3 mol-1) hexaaquaions, the respective Id and Ia water exchange mechanisms had been assigned, mainly on the basis of activation volumes ΔV⧧ and entering ligands effects for ...
Upon treating elemental S with [AgSbF6], [AgAl(hfip)4], [AgAl(pftb)4] (hfip = OCH(CF3)2, pftb = OC(CF3)3), [Ag(S8)2][SbF6] (1), [AgS8][Al(hfip)4] (2), and [Ag(S8)2]+[Al(pftb)4]- (3) formed in SO2 (1), CS2 (2), or CH2Cl2 (3). 1-3 Were characterized by singl ...
The invention provides a novel podate ligand H4L[1,2,4,5-tetrakis(pyrazol-1-ylmethyl-3-carboxylic acid)benzene] and to complexes comprising the ligand and a metal ion. Pharmaceutical compositions and methods of making and using the metal-podate complex ...
Carbamoyl phosphate (CP) has been implicated as an educt for the synthesis of the CO and CN ligands of the metal centre of [NiFe]-hydrogenases in Escherichia coli, since CP synthetase mutants (carAB) are unable to generate active hydrogenases due to a bloc ...
Metathesis reactions of dinuclear halo-bridged complexes of the late transition metals were studied by NMR. For selected combinations of 15 different complexes, asym. complexes are formed in a dynamic equil. The equil. consts. were calcd. and the trends th ...
A review. The theor. modeling of chem. active transition metal (TM) centers is a notoriously difficult task. The metal-ligand interactions in these complexes are often highly directional and the concoction of suitable analytic interaction potentials can be ...
The photophysical properties of the triple-stranded dimetallic helicates [Ln2(LC−2H)3]·H2O (Ln = Nd, Sm, Dy, Yb) are determined in water and D2O solutions, and energy transfer processes are modeled for SmIII. The luminescence of NdIII, SmIII, and YbIII is ...
The reaction of (E)-bis(2,4,6-tri-tert-butylphenyl)diphosphene with Ru-3(CO)(12) results in cleavage of the P=P bond with concomitant C-H activation of one of the t-butyl groups to form Ru-3(mu-H)(2)(CO)(8)(mu-P-C6H2-2,4-Bu-t(2)-6-CMe2CH2)(2). The H-atoms ...
