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41.
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Richard D. Bowen Howell G. M. Edwards Dennis W. Farwell Sara E Morgan 《Journal of Raman spectroscopy : JRS》2010,41(12):1725-1734
The Raman spectra of n‐pentyl methyl ether, C5H11OCH3, and six selectively deuteriated analogues are reported and discussed. Correlations between the observed ν(sp3CH) stretching and bending bands and the position of the deuterium atoms in the alkyl chain are developed and refined. Similar progress is possible in associating specific skeletal vibrations with bands in the Raman spectra. The relevance of this study to improving the assignment of bands in the Raman spectra of larger systems of biological interest is highlighted. Copyright © 2010 John Wiley & Sons, Ltd. 相似文献
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J-M. Lourtioz J. Pontnau M. Morillon-Chapey J-C. Deroche 《International Journal of Infrared and Millimeter Waves》1981,2(1):49-63
Eleven new CW far infrared (FIR) laser lines have been observed in the 600 m–1200 m range from the CF2Cl2 (Fluorocarbon 12) molecule optically pumped by a CO2 laser. A 510–4–10–3 accuracy is achieved in the measurement of the FIR wavelengths.The frequency offset between the CO2 pump center and the absorption line centers are measured using the transferred Lamb dip technique. Owing to a recent spectroscopic study of the CF2
35Cl2 molecule three lines may be assigned with great confidence as rotational transitions in thev
6 vibrational band 923 cm–1 of this main isotope. 相似文献
45.
Band assignments in the C-D stretching region of straight chain hydrocarbon species are derived from the spectra of stearic acid monolayers on gold. The fatty acid molecules reorient with respect to the metal surface as the films age. Correlating the changes in the IR spectra of both the undeuterated and deuterated acids allows one to identify the vibrational modes of the latter based on the accepted assignments of the former. The CD2 asymmetric and symmetric stretches are observed at 2194 and 2086 cm–1, respectively. Bands at 2212 and 2221 cm–1 are attributed to asymmetric in-plane and out-of-plane CD3 stretches. Assignments of several other features in this region are given while one band remains unassigned. 相似文献
46.
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The considered assignment problem generalizes its classical counterpart by the existence of some incompatibility constraints
limiting the assignment of tasks to processing units within groups of mutually exclusive tasks. The groups are defined for
each processing unit and the constraints allow at most one task from each group to be assigned to the corresponding processing
unit. The processing units can normally process a certain number of tasks without any cost; this capacity can be extended,
however, at some extra marginal cost that is non-decreasing with the number of additional tasks. Each task has to be assigned
to exactly one processing unit and has some preference for the assignment; it is expressed for each pair ‘task-processing
unit’ by a dissatisfaction degree. The quality of feasible assignments is evaluated by three criteria: g
1-the maximum dissatisfaction of tasks, g
2-the total dissatisfaction of tasks, g
3-the total cost of processing units. If there is no feasible assignment, tasks and processing units creating a blocking configuration
are identified and all actions of unblocking are proposed. Formal properties of blocking configurations and unblocking actions
are proven, and an interactive procedure for exploring the set of non-dominated assignments is described together with illustrative
examples processed by special software. 相似文献
48.
The 1H and 13C NMR spectra of six 5-substituted 2-azabicyclo[2.2.2]octane derivatives were fully assigned by COSY and HSQC experiments. 相似文献
49.
The 1H and 13C NMR spectra of methyl (-)-zanzibarate (1), an ent-labdanic diterpene isolated from the epicarp of Hymenaea courbaril var. altissima (Leguminosaea, Cesalpinoideae, Detariae), was fully assigned by COSY experiments, 13C/1H shift correlation diagrams and NOE experiments. 相似文献
50.
The use of vibrationally resonant sum-frequency generation (VR-SFG) spectroscopy to investigate the structure of surfaces and interfaces generally relies on the assumption that only the surface/interface is probed and that the vibrational mode assignments are known and correct. To make vibrational mode assignments, two fundamental aspects of the technique must be dealt with. First, not all vibrational modes observed in linear spectroscopic techniques, such as IR and Raman, are necessarily present in the VR-SFG spectrum. Second, while it is generally assumed that VR-SFG only probes the surface, this technique in actuality is sensitive to molecules in any environment with broken symmetry. Previously published assignments for the aromatic CH stretching modes of polystyrene surfaces are contradictory, and one purpose of this work is to revisit those assignments. In addition to thin films of polystyrene, we have collected VR-SFG spectra of dimethylphenyl silane, polystyrene covered with a layer of poly(methyl methacrylate) (PMMA), and plasma-treated polystyrene to aid our mode assignments. Density functional theory calculations were also performed on styrene oligomers. Based on these experimental and theoretical results, we have determined that not all the expected vibrational modes are observed in the VR-SFG spectrum of polystyrene. We have also found that one particular mode, the ν2 symmetric stretch, accounts for two of the observed peaks, one from the exposed surface and a second feature from a subsurface layer within the polymer thin film. These two features appear at separate frequencies (11 cm−1 separation) because this mode is very sensitive to the local density, which is higher in the bulk than at the surface. With these experimentally validated mode assignments, VR-SFG spectra in the aromatic CH stretching region can be interpreted more reliably. More importantly, these results demonstrate that great care must be taken in assigning VR-SFG spectra. These results also show that VR-SFG can be used to interrogate more than just free surfaces and buried interfaces; any area of broken symmetry is probed with this technique. 相似文献