Due to the steric effect, there may be different toxicity mechanisms between long-chain and short-chain aliphatic alcohols. 由于空间位阻效应,长链脂肪醇与短链脂肪醇可能存在不同的毒性作用机理。
The substituent effects ( the electronic effect, steric effect and position of substituted groups) on the benzene ring were investigated. 计算的取代基效应与有机电子论的预测相一致。
Two representative recent developments, the dual descriptor and steric effect quantification, are succinctly summarized. A personal prospective on the future of Conceptual DFT is provided at the end. 介绍了二元描述符和立体效应定量描述的新进展,并对今后的发展作出了展望。
From structure of organic compounds, this paper analyses and discusses impact of acids basing activity of organic molecules about electronic effect, hybrid method and steric effect. 主要从有机化合物的结构出发,分析和判断了电子效应、杂化方式及空间效应等因素对有机分子酸碱性的影响。
This paper reports studies of IR spectra of a series of macrocyclic polyethers and their substitution derivatives and the information of steric effect in the molecule. 内酯冠醚化合物的红外光谱研究报道很少,特别是随醚环的扩大和醚环骨架上不同取代基的引入所引起的中红外光谱的变化尚缺乏研究。
The possible reason was that, at a high particle concentration condition, both a short average random range and the steric effect of particles may screen the guiding effect. 其可能的原因是,在胶粒初始浓度较高时,由于胶粒布朗运动的平均自由程很短而且位阻效应大,从而使导向作用效应未能反映出来。
Stepwise regression analysis shows that combination of MW, which represents the steric effect, and pK a, which represents the electric effect, can fit biodegradation rate constants of substituted benzoic acids well. 逐步回归分析表明,表征位阻效应的参数MW与表征电性效应的参数pKa相结合,能够较好地拟合取代苯甲酸的生物降解速率常数。
Quantitative Study On Steric Effect in Inorganic Chemistry ⅳ. Possibility of a Molecular Fragment to Combine with New Ligands 无机化学中空间效应的定量研究Ⅳ.剩余空间容纳新配体的可能性
Study on Organo-Iodoso Compounds(ⅰ)& The Steric Effect of Ortho-n-Alkyl Group on the Stability of Ortho-n-Alkyl Iodosobenzene 有机亚碘酰化合物的研究(Ⅰ)&烷基的位阻效应对邻正烷基亚碘酰苯稳定性的影响
This dissertation describes the synthesis of a new type of ICT fluorophors, benzanilides, and the study of their absorption spectra, fluorescence spectra, electronic effect, steric effect and intramolecular charge transfer ( ICT). 本论文合成了新型分子内电荷转移(ICT)荧光体-苯甲酰苯胺衍生物并研究了其吸收光谱、荧光光谱、电子效应、空间位阻效应及分子内电荷转移。
Steric Effect and Solvent Effect in Group Transfer polymerization 基因转移聚合中的位阻和溶剂效应
Stereoelectronic effect and steric effect played a more or less important roles respectively in affecting the stereochemistry of the reactions because of different reaction mechanisms, conformational structures of the reactants and the reaction conditions. 而立体电子效应和位阻效应与反应机制,反应物的结构-构象和反应条件等都有关系,最终能影响反应产物的立体结构。
Steric Effect of Chiral Carbon Replacing Group in the Similar Enzyme Reaction 类酶催化反应中手性碳原子取代基的空间效应
FTIR proved that the dispersant tightly adsorbed at the surface of nano-TiO_2 by chemisorption, and induced the nano-particle to keep stable in the aqueous dispersion due to the electric repulsion force and steric effect. 红外图谱证明了分散剂在纳米二氧化钛表面形成了牢固的化学吸附,以此产生电斥力和空间位阻效应,使纳米二氧化钛在分散体系中处于稳定的悬浮状态。
Experimental results show that C4-C14 bond of cyclopentadiene-menadione adduct is weakened by the steric effect of its angular methyl group through the crystal structural analysis. Consequently, the retro-Diels-Alder tendency of the adduct is enhanced at 130 ℃ through thermal analysis ( TG-DSC). 晶体结构分析显示环戊二烯-甲萘醌加合物的C4-C14键被它的角甲基空间效应所弱化,热分析(TG-DSC)研究显示在130℃该加合物的逆Diels-Alder反应趋势得到加强。
The hydrolysis of chitin under concentrated alkali conditions would produce double anion because of conjugative effect and steric effect ( producing primary amine which had positive ion properties and linear chain macromolecular structure and which has good flocculability and clarification performance). 因共轭效应和空间效应,甲壳质在浓碱条件下水解,能形成双负离子,形成具阳离子性质的伯胺和具有直链高分子结构,具有优良的絮凝性能和澄清作用。
Studies of the Influence of the Steric Effect on the Catalytic Hydroxylation of Cyclohexane by Iron Porphyrins 铁卟啉的空间效应对其催化羟基化反应性能的影响
C. impedance technique and the UV spectroscopy technique. These deviations result from the direct interaction between the central metal and the analyte ion and steric effect associated with the structure of the carrier. 采用交流阻抗技术和紫外可见光谱技术初步研究了电极的响应机理,结果表明配合物中心金属原子的结构以及载体本身的结构与电极的响应行为之间有非常密切的构效关系。
These results are discussed in terms of steric effect and solvent effect. 我们从空间位阻和溶剂效应讨论了这些结果。
Some influences of steric effect, reaction temperature and solvent effects were discussed. 并简单讨论了立体效应,反应温度和溶剂效应对此还原反应的影响。
It is the interactional result of electronegative double bond and branched chain with positive induction effect and space steric effect. 并对其作用机制进行了分析,认为是由于极压抗磨添加剂分子中带负电性的双键和带正诱导效应及空间位阻效应的支链共同作用的结果。
In this paper, the impact of conformational effect ( including stereoelectronic effect anil steric effect) on the stereoselectivity in some organic reactions were discussed by estimating the energy difference between the intermediates of the competing reaction routes. 通过分析竞争反应的过渡态在构象上能量的高低,探讨构象效应(立体电子效应和位阻效应)对一些有机反应的立体性的影响;
A suitable acidity and steric effect were required for higher activity. 化合物要保持高活性需满足合适的立体要求及酸性。
A molecular mechanics study of steric effect of substituents on Extraction of metals by acidic phosphorus esters 酸性磷化合物萃取金属反应中取代基空间效应的分子力学研究
The formation mechanism relates to the competition between interparticle electrostatic interactions and steric effect. 这种聚集体的形成与静电作用和位阻作用有关。
As the modified agents, polyethylene glycol dispersed the precipitated particles by space steric effect, but citric acid worked by electrostatic repulsion. 聚乙二醇的大分子结构通过空间位阻效应将沉淀粒子分隔防止团聚,而柠檬酸则是通过静电排斥作用使颗粒分散。
It was found that electrostatic effect and steric effect are two important factors determining the occupancy sites, which can be well reflected by EN and radius. 本论文研究了阳离子在无机晶体材料中的占位选择性,发现静电效应和空间效应是决定离子占位的两个重要因素,分别可以由电负性和离子半径表达。
The degree of branch structure is related to the ion-pair, which is the substituent group connected to N atom in alkyne, and the steric effect of the Lewis Base. The branch structure can be restrained by controlling the chain transfer reaction. 其支化程度与离子对的结构,即炔酰胺上N原子相连取代基和路易斯碱的位阻大小有关,可通过对链转移反应的抑制控制支化程度。
Antifungal results exhibited the activity was greatly influenced by electronegativity of substituents in triazole and steric effect. The inhibitory effect followed a sequence of methyl> methyl chloride> phenyl. 抑菌活性结果表明:三唑环上取代基的电负性和空间位阻对抑菌活性影响很大,甲基强于氯甲基,强于苯基。
In general, corrosion inhibitors, which have stronger electrostatic adsorption, smaller the steric effect, and larger the electron density of central adatom, would have better corrosion resistance to sulfur. 总的来说,缓蚀剂的静电吸附作用越强,空间位阻效应越小,中心吸附原子的电子云密度越大,缓蚀剂的抗硫效果越好。