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51.
The complex 1-methylally(cyclooctatetraene)titanium has been prepared by the reaction of cyclooctatetraenetitanium chloride and 1-methylallylmagnesium bromide. The IR spectrum shows the vibrations of the h8-C8H8 ligand and of a π-bonded methylallyl group. The mass spectrum is also discussed. 相似文献
52.
Several enol ethers react in the dark at elevated temperatures with triplet oxygen, producing ketones and chemiluminescene. Other electron-rich olefins were investigated. 相似文献
53.
Since the thermodynamic properties of cerous magnesium nitrate play such an important role in low temperature physics we computed the influence of all variations still possible under the given set of known data: Small variation in the lattice structure, in particular the displacement of the center plane, small variations of the g-factor and the combination thereof. 相似文献
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Fielicke A von Helden G Meijer G Simard B Rayner DM 《The journal of physical chemistry. B》2005,109(50):23935-23940
We report the vibrational spectra of the carbonyl complexes of anionic gold clusters in the range of the CO stretching frequency as measured in the gas phase using IR multiple photon dissociation spectroscopy. The investigated complexes contain between 3 and 14 Au atoms and up to 7 CO ligands. Special attention is given to the complexes that exhibit saturation CO coverage as well as to the monocarbonyl species. In conjunction with data from the corresponding cationic complexes we quantify how the CO stretching frequency varies with the charge state of the gold cluster. Our results provide a size- and charge-dependent basis to interpret values of the CO stretching frequency measured for CO on deposited gold clusters in terms of the charge states of the clusters. 相似文献
57.
We determined the phase diagram involving diamond, graphite, and liquid carbon using a recently developed semiempirical potential. Using accurate free-energy calculations, we computed the solid-solid and solid-liquid phase boundaries for pressures and temperatures up to 400 GPa and 12 000 K, respectively. The graphite-diamond transition line that we computed is in good agreement with experimental data, confirming the accuracy of the employed empirical potential. On the basis of the computed slope of the graphite melting line, we rule out the hotly debated liquid-liquid phase transition of carbon. Our simulations allow us to give accurate estimates of the location of the diamond melting curve and of the graphite-diamond-liquid triple point. 相似文献
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59.
The novel promoter system IX/AgOTf (X = Cl or Br) has been evaluated in the synthesis of two bislactam analogues of GD3. We have carried out two high-yielding galactosylations in 97% and 98% yield, respectively, using ICl/AgOTf, and four sialylations in 93%, 59%, 40%, and 44% yield, using IBr/AgOTf. The choice of interhalogen (IX) is determined by the donor type used in the glycosylation. We also report some mechanistic investigations leading to further optimization of the IX/AgOTf promoter system. 相似文献
60.
Oomens J Moore DT Von Helden G Meijer G Dunbar RC 《Journal of the American Chemical Society》2004,126(3):724-725
Infrared spectroscopy of gas-phase Cr+ complexes of aniline was studied using the FELIX free electron laser interfaced to a Fourier transform ion cyclotron resonance spectrometer. For both the monomer complex Cr+(aniline) and the dimer complex Cr+(aniline)2 the spectra showed features indicating binding of the metal ion to the aromatic pi cloud, as opposed to the nitrogen atom. Agreement with DFT-calculated infrared absorption spectra for the ring-bound complexes was good using the MPW1PW91 functional, but the B3LYP functional predicted the wrong binding site. The spectroscopic results resolve the ambiguity in computational prediction of the preferred binding site and support the use of the MPW1PW91 functional for these systems. 相似文献