Summary The structure of the heterobinuclear complex of Cu2+ and [UO2]2+ with the tetraanionic ligand derived from the condensation of 1,2-diaminoethane witho-acetoacetylphenol has been determined from diffractometer data and refined to R = 5.2%. The crystals are monoclinic,P21/a, witha = 26.22(2),b = 14.79(2),c = 8.10(1) Å and = 104.65(5)°; Z = 4. The ligand employed has two different coordination sets of atoms, N2O2 and O2O2, two oxygen atoms being common to both donor sets. In the complex the copper atom, which is retained in the inner N2O2 chamber, is five coordinate being axially bonded to a solvent molecule, whilst the uranyl ion is incorporated in the outer O2O2 chamber. Another molecule of solvent is retained to preserve the preferred seven coordination of uranium. 相似文献
STO -3G minimal basis sets for first- and second-row transition metals have been formulated and applied to the calculation of equilibrium geometries for a variety of inorganic systems, metal carbonyls, and organometallic compounds. While the overall level of agreement with experiment is not as good as that previously noted for main-group compounds, most trends and many subtle features in geometries are reproduced. 相似文献
Copper(II) complexes of peptides containing two or three histidyl residues (Ac-HisGlyHis-OH, Ac-HisGlyHis-NHMe, Ac-HisHisGlyHis-OH and Ac-HisHisGlyHis-NHMe) have been studied by potentiometric, UV-Vis, EPR and CD spectroscopic measurements. The imidazole nitrogen atoms are described as the primary metal binding sites of all ligands resulting in the formation of various macrochelates in the pH range 4 to 7. The (Nim, N-, Nim)-co-ordinated [CuH-1L]0+ complexes were mainly detected in samples containing free carboxylates at the C-termini, whilst the [CuH-2L]-(0) complexes were the predominant species in slightly alkaline solution and their binding modes were described via 4N-co-ordination (Nim, N-, N-, Nim) in (7,5,6)-membered fused chelate rings. Deprotonation and co-ordination of the third amide nitrogens were detected above pH approximately 9 in all cases. 相似文献
The influence of different instrumental parameters on the mass displacements observed in an ion trap and a quadrupole mass filter was investigated. In ion trap measurements it was observed that isolated ions (obtained by both ‘apex’ and ‘two-step’ isolation methods) show the same mass displacements determined in the usual mass spectra; isobaric ions of different structure irradiated with supplementary a.c. fields are ejected at different a.c. voltages, and different cooling times do not affect the mass value. In the quadrupole mass filter, differences in mass were found among isobaric ions of different structure, although to a smaller extent than those observed in the ion trap. All the data obtained are in agreement with the hypothesis of ion–r.f. field interactions originating from the polarizability of the ion. 相似文献
The reaction of 2-carbonyl-1,3-dithiane, a sulfene prepared in situ from 2-chloroearbonyl-1,3-dithiane and triethylamine, with N,N-disubstituted 2-aminomethylvnecycloalkanones gave the 1,4-cycloadducts, namely N,N-disubstituted 4′-aminospiro[1,3-dithiane-2,3′-(5′,6′-poly-methylene-3′,4′-dihydro-α-pyrones)]. 相似文献
Cobalt(I) carbonyl complexes of formula [Co(CO)n(P)5?n]ClO4 (n = 1, 2, 3; P = secondary or tertiary phosphine) have been prepared by reaction of CO under ambient conditions with Co(ClO4)2 · 6H2O and phosphine in isopropyl alcohol. The chemical and spectroscopic properties of these complexes are described and the stoichiometry and mechanism of the carbonylation reaction discussed. 相似文献
The electron impact-induced fragmentation processes of pyrrole-2-, -3-, -2,3-, -3,4-, -2,5- and -2,3,4-carboxylic acids were investigated with the aid of metastable ion, collisional and deuterium labelling experiments. The general behaviour of these compounds is discussed in detail, together with the reasonable structures of the more relevant fragment ions. 相似文献