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A series of Fe-S and Fe-Se cubane clusters containing all four combinations of the general formula [Fe(4)X(4)(Y-CH(3))(4)](2)(-) (X = S/Se, Y = S/Se) is investigated with FTIR and Raman spectroscopy. The terminally selenolate coordinated clusters (Y = Se) are prepared by a new synthetic route. All four cluster compounds are structurally characterized by X-ray single-crystal structure determination. Infrared and Raman spectra of all compounds are presented and interpreted with normal coordinate analysis. The corresponding force fields are based on that developed for the Fe(4)S(4)-benzyl cluster (Czernuszewicz, R. S.; Macor, K. A.; Johnson, M. K.; Gewirth, A.; Spiro, T. G. J. Am.Chem. Soc. 1987, 109, 7178-7187). An empirical procedure is presented to convert Fe-S into Fe-Se force constants. Only minor changes in force constants are found upon S --> Se exchange, reflecting the similarity of the Fe-S and Fe-Se bonds. The drastic frequency shifts in the metal-ligand region observed upon substitution of sulfur by selenium are, therefore, primarily due to the corresponding mass changes. 相似文献
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G. T. Jones R. W. L. Jones B. W. Kennedy D. R. O. Morrison D. B. Miller M. M. Mobayyen S. Wainstein M. Aderholz D. Hantke U. F. Katz J. Kern N. Schmitz W. Wittek H. P. Borner G. Myatt F. W. Bullock S. Burke 《Zeitschrift fur Physik C Particles and Fields》1993,58(3):375-386
Evidence is presented for diffractive production of -mesons and of -systems invp and
chargedcurrent interactions. In the (anti-)neutrino energy range 10 GeVE
v
<60 gev=" the=" cross=" sections=" for=" diffractive=">60> and diffractive production are found to be (0.64±0.14 (stat.)±0.08 (syst.))% and (0.28±0.08 (stat.)±0.04 (syst.))% of the charged-current cross section. The diffractive signal is consistent with being entirely due to diffractivea
1 production. However, the data cannot distinguish between diffractivea
1 and diffractive nonresonant production. The experimental distributions ofW, Q
2,x
Bj
andy
Bj
for diffractive and events are consistent with model predictions. 相似文献
17.
A. E. Asratyan M. Aderholz V. V. Ammosov W. Burkot E. F. Clayton T. Coghen O. Erriquez G. S. Gapienko V. A. Gapienko J. Guy D. Hantke G. T. Jones V. S. Kaftanov U. F. Katz J. Kern V. A. Korotkov S. P. Krutchinin M. A. Kubantsev P. Marage D. B. Miller M. M. Mobayyen D. R. O. Morrison M. Neveu J. Sacton N. Schmitz K. Varvell W. Venus W. Wittek V. G. Zaetz 《Zeitschrift fur Physik C Particles and Fields》1993,58(1):55-60
The diffractive production of charmed strangeD s * and possiblyD s mesons by neutrinos and antineutrinos on nucleons in hydrogen, deuterium and neon targets is observed. The slope parameter of thet distribution is 3.3±0.8 (GeV)?2. The production rate per charged current neutrino interaction with an isoscalar target times the D s + →φτ+ branching fraction is (1.03±0.27)×10?4. 相似文献
18.
Ab initio calculations are reported for the simplest heteronuclear metal cluster, LiBe. Full spin-orbit configuration interaction calculations in the context of relativistic effective core potentials lead to accurate potential energy curves for low-lying states. Results are compared with recent experimental observations and with all electron multi-reference configuration interaction calculations. 相似文献
19.
A two-step protocol for the first chemoselective cleavage of 2-hydroxy acid amides has been developed. Mesylation of the model substrate 2-(hydroxypropionylamino)-4-methylpentanoic acid methyl ester (11) followed by treatment with N-ethylthiourea (13) allows cleavage of 2-hydroxy acid amides under smooth conditions. Successful application of this methodology to the open-chain transesterification product 15 (methylester) of the cyclic heptadepsipeptide HUN-7293, a potent inhibitor of inducible cell adhesion molecule expression, delivered the corresponding hexapeptide 18 with unprotected N-terminus in 70-75% yield. This result demonstrates that the protocol developed even works in the presence of an ester and several methylated and unmethylated amide bonds. Finally, a sequence of ligation of methyl D-dehydroglutaminate (20) to the C-terminus of the saponification product 21, followed by the degradation protocol and ring closure, allowed chemical "point mutation" at the DGCN site affording the aza analogue of HUN-7293 (24) in 15% overall yield. To the best of our knowledge this is the first report on chemoselective cleavage of 2-hydroxy acid amides. 相似文献
20.
Pascual JI Barth JV Ceballos G Trimarchi G De Vita A Kern K Rust HP 《The Journal of chemical physics》2004,120(24):11367-11370
We report scanning tunneling microscopy observations on the restructuring of a Ag(110) surface induced by the molecule 4-[trans-2-(pyrid-4-yl-vinyl)]benzoic acid (PVBA). Our data reveal that the surface undergoes a mesoscopic step faceting following exposure to submonolayer coverages and thermal activation. A sawtooth arrangement evolves implying long-range mass transport of substrate atoms and forming a regular arrangement of kink sites. Its formation is associated with the molecules' functional headgroups forming carboxylates with [100] Ag microfacets at step edges, and eventually operating to reshape the surface morphology. Interestingly, the resulting microfacets act as chiral templates for the growth of supramolecular PVBA structures. Theoretical modeling based on ab initio results indicates that chiral recognition processes discriminating between the two enantiomers of adsorbed PVBA molecules occur in this process. 相似文献