A new quantum chemical definition of oxidation number is proposed, in the present paper, as a direct generalization of the corresponding classical definition. According to the proposed general definition, the oxidation number can be calculated by use of molecular orbital data and a population analysis method or by use of other quantum chemical methods. For the practical calculation, we present a corresponding concrete calculation procedure within the framework of the maximum overlap population principle, which is very simple and very easy to use. The calculated numerical results are, on the whole, in good agreement with chemists' intuitive concepts of chemical bonding. 相似文献
The cover picture shows that sequential 1,1‐dihydrosilylation of terminal aliphatic alkynes with primary silanes enabled by one earth‐abundant cobalt catalyst has been developed. This protocol is operationally simple using readily available aliphatic alkynes, including simple acetylene and complex drug derivative, for efficient access to valuable gem‐bis(dihydrosilyl)alkanes in highly regioselective and atom‐economic manners. Corresponding asymmetric transformations are achieved with excellent enantioselectivities. More details are discussed in the article by Lu et al. on page 457–461.
In this paper, the bond strengths, defined by Pauling, for a series of molecules in the type of MLk have been calculated by using the generalized method obtained from the maximum overlap method in a preceding paper and by using Pauling's pair–defect–sum approximation. A number of geometrical bonding situations are investigated. It is demonstrated why a previous study purporting to use of Pauling's criterion of bond strength to find that the axial bonds in trigonal bipyramidal ML5 are stronger than the equatorial bonds is incorrect. The results obtained from the two methods approach each other and are in good agreement with the experimental bond lengths, which show that Pauling's criterion is viable and that the pair–defect–sum approximation is indeed an excellent one that agrees with the maximum overlap method. 相似文献
Oral clonidine, used as an antihypertensive, can result in some side effects such as dry mouth, drowsiness, dizziness and sedation; thus, clonidine transdermal drug delivery (TDD) was considered. Use of the controlled release membrane was one of the methods in TDD systems to regulate the permeation properties. A new type of copolymer membrane that controlled clonidine linear release in TDD system was synthesized by UV radiation. This membrane consisted of three monomers: 2-hydroxy-3-phenoxypropylacrylate, 4-hydroxybutyl acrylate and diethyl maleate. The membrane had both fine permeation properties and perfect physical properties when three monomers were in the weight ratio of 4:4:2; this type of membrane was chosen as an optimized membrane. It was found that the membrane controlled clonidine zero-order release, the permeation rates decreased with the thicknesses of membranes increasing, and the permeation rates were linearly dependent on the square root of the concentration of clonidine. Furthermore, the optimized membranes were characterized by FTIR, DSC and SEM. 相似文献
High-quality online course materials were reconstructed through feedback from undergraduate students and online data analysis regarding constructed learning materials on the Chao Xing Learning Platform. They were used for studying organic chemistry courses online and offline in university for nationalities. This model, based on student-centered teaching, can effectively transform students from passively accepting knowledge to actively learning and internalizing knowledge. This strategy can also enhance the students' learning initiative and the effects of learning, and hopefully be helpful to the universities in multi-ethnic areas in developing fundamental disciplined construction of organic chemistry and other courses. 相似文献