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52.
A novel metal-doped metal–organic framework (MOF) was developed by incorporating salen–Mg into NH2–MIL-101(Cr) structure under ambient conditions. The Schiff base complex was successfully prepared by condensing salicylaldehyde with a free amino group and then coordinating metal ions. Such a structure can endow the sample with higher CO2 adsorption performance. At 0°C and 1 bar, the salen–Mg-modified sample achieves the maximum adsorption capacity of 2.18 mmol g−1 for CO2, which was 5.8% higher than the pristine salen–MOF under the same conditions. Notably, the Freundlich model indicates that the CO2 adsorption process of all samples conforms to reversible adsorption. However, the correlation coefficients (R2) of the Mg-doped sample are lower than that of the pristine sample. Besides, the CO2/N2 adsorption selectivity and isosteric heat also show a similar trend. These results indicate that the salen–Mg can enhance the interaction between the material and CO2 molecules. 相似文献
53.
Poul Erik Hansen Bahjat A. Saeed Rita S. Rutu Teobald Kupka 《Magnetic resonance in chemistry : MRC》2020,58(8):750-762
1J(15N,H) coupling constants for enaminones and NH-forms of intramolecularly hydrogen-bonded Schiff bases as model compounds for sp2-hybridized nitrogen atoms are evaluated using density functional theory (DFT) to find the optimal functionals and basis sets. Ammonia is used as a test molecule and its one-bond coupling constant is compared with experiment. A methylamine Schiff base of a truncated molecule of gossypol is used for checking the performance of selected B3LYP, O3LYP, PBE, BHandH, and APFD density functionals and standard, modified, and dedicated basis sets for coupling constants. Both in vacuum and in chloroform, modeled by the simple continuum model of solvent, the modified basis sets predict significantly better the 1J(15N,H) value in ammonia and in the methylamine Schiff base of a truncated molecule of gossypol than the standard basis sets. This procure is then used on a broad set of intramolecularly hydrogen-bonded molecules, and a good correlation between calculated and experimental one-bond NH coupling constants is obtained. The 1J(15N,H) couplings are slightly overestimated. The calculated data show for hydrogen-bonded NH interatomic distances that the calculated values depend on the NH bond lengths. The shorter the bond lengths, the larger the 1J(15N,H). A useful correlation between 1J(15N,H) and NH bond length is derived that enables realistic predictions of one-bond NH coupling constants. The calculations reproduce experimentally observed trends for the studied molecules. 相似文献
54.
Let be a finite field of cardinality , which is a finite chain ring, and is an odd positive integer. For any , an explicit representation for the dual code of any -constacyclic code over of length is given. And some dual codes of -constacyclic codes over of length 14 are constructed. For the case of , all distinct self-dual -constacyclic codes over of length are determined. 相似文献
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In this article we consider linear codes coming from skew-symmetric determinantal varieties, which are defined by the vanishing of minors of a certain fixed size in the space of skew-symmetric matrices. In odd characteristic, the minimum distances of these codes are determined and a recursive formula for the weight of a general codeword in these codes is given. 相似文献
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Michael Braun 《组合设计杂志》2019,27(11):682-687
An ‐arc in is a set of points such that each line contains at most of the selected points. It is well known that ‐arcs in correspond to projective linear codes. Let denote the maximal number of points for which an ‐arc in exists. In this paper we obtain improved lower bounds on by explicitly constructing ‐arcs. Some of the constructed ‐arcs correspond to linear codes meeting the Griesmer bound. All results are obtained by integer linear programming. 相似文献