Vibrational study and spectra-structure correlations in ammonium saccharinate: comparison with the alkali saccharinates.

The FT IR spectra, at temperatures from liquid-nitrogen boiling (LNT) up to room temperature (RT), as well as the RT Raman solid-state spectra of protonated and deuterated ammonium saccharinate and of a series of alkali (Na, K, Rb, Cs) saccharinates are studied. The spectral assignments are aided with ab initio calculations on the free saccharinato anion at the HF/6-31 + + G(d,p) level. Attention is paid to the ND, CO and SO2 stretching regions. Correlation splitting is believed to be responsible for the presence of a v(CO) doublet. The averaged v(CO) frequency in (purely ionic) ammonium saccharinate is found to be the lowest in the so far studied saccharinates, along with the assumptions that the v(CO) frequency (or the corresponding averaged value) can have predictive value for the type of the metal-to-saccharinato ligand/ion bonding. The appreciably higher contribution of the dominating internal coordinate in the corresponding normal vibration in case of v(as)(SO2) than in v(s)(SO2) makes it suitable for spectra-structure correlations. Contrary to RT, even though no phase transitions were observed in the studied temperature range, some polycentered character is prescribed to the hydrogen bonds in which the ammonium ions of effective symmetry C8 participate at LNT. Certain structural predictions about the saccharinates of K, Rb and Cs are made.

Determination of trace elements in some copper minerals by k0-neutron activation analysis.

Trace element contents in two copper minerals [brochantite [Cu(4)SO(4)(OH)(6)] and native Cu] using k(0)-NAA were determined before and after quantitative removal of copper. The distribution of 44 elements in the studied minerals was investigated. An important advantage of the proposed method is the possibility to determine the content of several elements (Al, Dy, Mg, Mn and V) via their short-lived nuclides after the electrolytic removal of Cu due to the elimination of matrix interferences.

On the short carbonyl bond in bis[mu-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-kappa2N:O]bis[[1,2-benzisothiazol-3(2H)-one 1,1-dioxido-kappaN]bis(imidazole)copper(II)].

The short carbonyl bond in the title compound, [Cu(2)(C(7)H(4)NO(3)S)(4)(C(3)H(4)N(2))(4)] [Liu, Huang, Li & Lin (1991). Acta Cryst. C47, 41-43], is an artifact of disorder in the isothiazol-3(2H)-one 1,1-dioxide part of the 1,2-benzisothiazol-3(2H)-one entity. In the present redetermination, all bond dimensions in the centrosymmetric dinuclear molecule are normal. The five-coordinate Cu atom shows trigonal-bipyramidal coordination. Hydrogen bonds from the imidazole donor ligand link adjacent molecules into a two-dimensional layer structure.