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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The hydrogenation of benzene and other arenes under aqueous-organic biphasic conditions is evaluated using the ruthenium complexes Ru(eta(6)-C10H14)(pta)Cl-2 (pta=1,3,5-triaza-7-phosphaadamantane), Ru(eta(6)-C10H14)(tppts)Cl-2 (tppts=tris-3-sulfonatophenyl ...
Individual MO (MO) contributions to the magnetic shielding of atoms as well as to the nucleus-independent chem. shifts (NICS) of arom. compds. can be computed by the widely used gauge-including AO (GIAO) method. Detailed analyses of magnetic shielding MO-N ...
Several methods to address aromaticity in terms of nucleus-independent chem. shifts (NICS) are compared. These include NICS at the ring center NICS(0), NICS 1 .ANG. above the ring plane NICS(1), arom. ring current shielding (ARCS), and dissected NICS, i.e. ...
The soln. structure of the two intimate ion pairs present in soln. for [PtMe(h2-olefin)(a-diimine)]BF4 compds. (1-3, shown as I.BF4, R = Ph, 4-MeC6H4, 4-CF3C6H4) their relative abundance and the consequent thermodn. equil. parameters were detd. by a quant. ...
In plane wave based electronic structure calcns. the interactions between core and valence electrons are in general represented by effective core potentials. These pseudopotentials are usually constructed such that the shape of the at. valence orbitals out ...
A variety of homonuclear and heteronuclear transition metal carbonyl clusters have been analyzed by ultraviolet laser desorption/ionization time-of-flight mass spectrometry. The spectra were recorded in negative and positive ion modes, using both linear an ...
The hydrogenase maturation proteins HypF and HypE catalyze the synthesis of the CN ligands of the active site iron of the NiFe-hydrogenases using carbamoylphosphate as a substrate. HypE protein from Escherichia coli was purified from a transformant overexp ...
[Rh-4 (CO)(6) (mu-Me2PCH2PMe2)(3)], the first example of a hexasubstituted derivative of Rh-4(CO)(12), has a ground state geometry in the solid state and in solution of C-s symmetry with four edge-bridging carbonyls and with each diphosphine ligand bridgin ...
The invention relates to a novel class of ligands, complexes comprising such ligands and a metal ion, and adducts of these metal complexes and a macromolecule. Pharmaceutical compositions and methods of making and using the ligand-metal complexes are also ...
As shown by detailed nucleus-independent chem. shift (NICS) analyses of the contributions of each MO, the very recently reported gas-phase all-metal Al4Li3- anion and its relatives (Kuznetsov, A.E.; Birch, K.A.; Boldyrev, A.I.; Li, X.; Zhai, A.I.; Wang, L. ...
