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In this paper the same kind of results are given for 13C16O2,and 13C18O2 as for 12C18O2 [D. Bailly and C. Rossetti, J. Mol. Spectrosc.105, 215–228 (1984)]. Forty seven vibrational bands are analyzed from which spectroscopic constants are computed. These constants reproduce wavenumbers with a RMS of the order of 3 × 10?5 cm?1 for the best measurements. For each species, a set of molecular parameters is given for Σ-Σ transitions. 相似文献
23.
Eliano Diana Giuliana Gervasio Domenica Marabello Rosanna Rossetti 《Journal of Cluster Science》1998,9(3):223-242
Co2(CO)8 and Te2O react to form the well known Co4(CO)10Te2, Co4(CO)11Te2 complexes and the two new cluster complexes CCo6(CO)12Te2(1), and CCo6(CO)10Te2(Te3) (2). The structures of 1 and 2 were determined by X-ray analysis, together with the triphenylphosphine derivative of 1, CCo6(CO)11(PPh3)Te2(3), which was analyzed to clarify the disordered structure of the parent compound. Complex 1 is formed by a prismatic cluster of cobalt atoms with a carbon embedded in the cage; two tellurium atoms cap the triangular faces of the prism and each cobalt atom links two terminal carbonyl groups. The complex 2 has a similar prismatic cage CCo6; two 4-Te atoms cap two rectangular faces of the prism, while other two Te atoms bridge two edges of the triangular faces and are linked each other through a third Te atom. Electron counting gives for complex 2 92 electrons: the presence of two long Co–Co distances suggests that the two excess electrons are located on Co–Co antibonding orbitals. Crystal data for 1, space group C2/c, a = 12.845(2) Å, b = 13.449(2) Å, c = 13.246(2) Å, = 91.95(2)°, Z = 4, R = 0.097 for 2555 reflections; for 2, space group Pnna, a = 17.219(5) Å, b= 14.969(6) Å, c = 9.178(4) Å, Z = 4,R = 0.037 for 3103 reflections; for 3, space group P21/c, a = 9.288(2) Å, b = 14.920(6) Å, c = 26.300(9) Å, = 99.99(2)°, Z = 4, R = 0.037 for 4300 reflections. The vibrational analysis of the complex 1 was performed and most of the (CO), (6C–Co), (Co–Co) and (Co–Co) modes were assigned. The (Co–Te) modes were interpreted on the basis of the intermolecular coupling, due to the close contact between neighboring clusters in one distinct direction in the crystal. 相似文献
24.
György Bor Urs K. Dietler Pier Liugi Stanghellini Giuliana Gervasio Rosanna Rossetti Gino Sbrignadello Giovanni A. Battiston 《Journal of organometallic chemistry》1981,213(1):277-292
Co6C(CO)12S2 (I) has been isolated in crystalline form from the mixture of more than a dozen of carbonyl products formed when Co2(CO)8 reacts at room temperature with CS2. Crystals of I are monoclinic with space group Cc, and lattice constants a 16.250(5), b 9.413(4), c 16.036(5) Å, β 116.77(4)°. Structure refinement gave R 0.034 for 1974 reflections. The CCo6S2 core of the molecule possesses idealized D3h geometry. It is composed of a Co6 trigonal prism, enclosing a C atom in the centre, and the triangular faces are capped symmetrically by the two S atoms. The core contains two sorts od CoCo distances: short one (2.432 Å) along the triangular edges, and long ones (2.669 Å) along the lateral edges. The average CoC distance is 1.94 Å, and the average CoS distance 2.192 Å.13CO-enriched samples were prepared photochemically and their IR spectra used in the assignment of the CO stretching frequencies. The CO stretching force constant was calculated to be 1670(2) Nm-1.By the use of 13CS2, I has also been obtained in a selectively carbido-13C-labelled form. The vibrational frequencies of the carbide atom were observed, and that at 819 cm-1 (13C: 790 cm-1) assigned to the species , and that at 548 cm-1 (13C: 535.5 cm-1) to species E′. For the Co-C(carbide) force constant a value of 155 Nm-1 was calculated. The cobalt—sulphur stretching frequencies were found at 309 cm-1 () and 239 cm-1 (E′). The CoS stretching force constant, 78 Nm-1, is considerably lower than that obtained for SCo3-(CO)9, viz. 112 Nm-1. 相似文献
25.
Kettle SF Diana E Rossetti R Boccaleri E Jayasooryia UA Stanghellini PL 《Inorganic chemistry》2000,39(25):5690-5696
The infrared and Raman spectra of the title compounds in the ca. 400-150 cm-1 region are reported. For the first time, detailed assignments are given for all of the features in this region for the first series of compounds. An attempt is made to extend to all of the modes the plastic cluster model of vibrational analysis, which is normally applied only to nu(M-M) vibrations. While mixing occurs between nu(Fe-Fe) and nu(Fe-E), species containing Te posed particular problems; the reasons for this are discussed and give new insights into the plastic cluster model itself. 相似文献
26.
Journal of Thermal Analysis and Calorimetry - The thermogravimetric analysis when applied to liquid binary mixtures of acetonitrile–water and methanol–water reproduces the whole course... 相似文献
27.
Sharma RP Singh A Venugopalan P Dansby-Sparks R Xue ZL Rossetti S Ferretti V 《Journal of Coordination Chemistry》2010,63(17):3016-3027
A new complex salt of composition [Co(phen)(3)](3)(V(4)O(12))(2)Cl·27H(2)O (phen = 1,10-phenanthroline and [V(4)O(12)](4-) = tetrameric dodecaoxotetravanadate ion) was synthesized by reacting appropriate salts in aqueous medium. The complex salt has been characterized by elemental analyses, thermogravimetric analysis (TGA), cyclic voltammetry (CV), FT-IR and UV/Vis spectroscopies, solubility product and conductance measurements. Single crystal X-ray structure determination revealed ionic structure consisting of three complex cations, [Co(phen)(3)](3+), two [V(4)O(12)](4-) anions, one chloride and twenty seven lattice waters. Detailed structural and spectroscopic analyses of [Co(phen)(3)](3)(V(4)O(12))(2)Cl·27H(2)O show that the large anion is stabilized by the large cationic metal complex as there is preferred shape compatibility that leads to a large number of lattice stabilizing non-covalent interactions. 相似文献
28.
The adducts of cyclohexane-1,4-dione with HgCl2, ZnCl2, and TiCl4 have been prepared, and the IR. absorption spectra of the solid products studied. The lowering of the carbonyl frequency shows that the acceptor is linked by dative bonds to the carbonyl oxygen donors. This result confirms the cyclohexane-1,4-dione · HgCl2 structure which has been determined by X rays diffraction. 相似文献
29.
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