1,721,205 research outputs found
Structural studies of Pt cluster compounds. II. The crystal structure of the trinuclear platinum cluster Pt3[P(C6H11)3(CO3
No full textInelastic neutron scattering: a powerful technique to study the structure and dynamics of solids
No full textThe Structure Of The Complex [ηC6H11)Ni(PPh3)2] ZnCl3 Containing A 1,1′,2-Trimethylallyl Ligand
No full textThe structure of the title complex has been determined by X-ray diffraction methods; the conformation of the trimethylallyl ligand is discussed
Nonclassical hydrides of Ni+ in ZSM-5 zeolite structures : a hybrid DFT study
No full textWe have studied the reactivity towards dihydrogen of Ni2+-Ni+ reduced ions, residing above two framework oxygen atoms, using a 18 SiO4 tetrahedrals (18T) model cluster representing the intersection of the straight and the sinusoidal channels in ZSM-5 zeolite. Reported are a detailed analysis of the Ni+-H-2 orbital interactions, the thermodynamic stability, and characteristic spectral signatures of the predicted Ni+(H-2)(n) nonclassical hydrides for n = 1 and 2, at the B3LYP level of theory. Comparison is made to existing spectroscopy data for a Ni+(H-2) complex formed in Ni-exchanged ZSM-5 zeolite [11]. (C) 2012 Elsevier B.V. All rights reserved
Transition metal hydrides as ligands
No full textThe characterization of [(PPh3)(3)IrH3AgH3Ir(PPh3)(3)](CF3SO3) is reviewed. The structural and spectroscopic properties of [(tripod)MH3M'H3M(tripod)](CF3SO3) (tripod=CH3C(CH2PPh2)(3), CH3C(CH2AsPh2)(3); M = Rh, Ir; M' = Cu(I), Ag(I), Au(I), Cd(II)) are also reviewed. It is pointed out that (a) in the Cu(I) and Ag(I) species, each trihydride forms one stronger and one weaker M-H-M'-H-M interaction, (b) in the Au(I) species the trimetallic units are held together mainly by M-Au-M bonds and (c) in the Cd(II) species this cation may weakly interact with all six hydrides. Qualitative bonding schemes describing the M-H-M'-H-M interactions are presented. The formation and properties of the hydrido-bridged heterobimetallic complexes of the type [(tripod)MH3M'L-n](CF3SO3) (tripod = as above; M = Rh, Ir; M' = Cu(I), Ag(I), Au(I), L = PR3) are summarized. The structural features of the hexametallic complexes [{(CH3C(CH2PPh2)(3))MH3M'}(3)](CF3SO3)(3) (M = Rh, Ir; M' = Cu(I), Ag(I), Au(I)) are reviewed
Exploiting neutrons to probe the structures, and vibrational and rotational spectra, of inorganic and organometallic systems
No full textBonding of the beta-pinene allyl, eta(3)-C10H15 to Pd(II): X-ray structure of [Pd(eta(3)-C10H15)(Josiphos)]CF3SO3
No full textThe solid-state structure of the beta-pinene allyl complex [Pd(eta(3)-C10H15)(1)]CF3SO3 (1, Josiphos = (Cp)Fe{C5H3(1-CH(CH3)PR21)-2-PR22}), R-1 = Cy, R-2 = Ph, has been determined by X-ray diffraction. The coordinated allyl is found to be rotated such that one allyl terminus is found almost in the P-Pd-P plane, whereas the second allyl terminus is approximately 0.37 Angstrom below this plane. This structural distortion is suggested to have an electronic, and not a steric origin
Formation of a non-classical "eta(2)-H-2-Ag" hydride in zeolitic materials
No full textQuantum chemical calculations including DFT, MP2, MP4 and QCISD predict the formation of non-classical eta(2)-hydride of Ag+ coordinated to two oxygen atoms, in the frameworks of various zeolites. These model calculations are compared with existing zeolite structural data, other modelling works, and Inelastic Neutron Scattering (INS) spectroscopy data of dihydrogen adsorbed in a Ag-exchanged zeolite with LTA topology. It is also found that, although a little less stable, the corresponding eta(2)-H-2-Ag+ exist as well in the gas phase. (C) 2011 Elsevier B.V. All rights reserved
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