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991.
Acetyl acrylic anhydride (CH(3)C(O)OC(O)CHCH(2)) and its halogen-substituted derivatives (CF(3)C(O)OC(O)CHCH(2) and CCl(3)C(O)OC(O)CHCH(2)) were prepared by the heterogeneous reaction of gaseous CH(2)═CHC(O)Cl with CX(3)C(O)OAg (X = H, F, or Cl). The molecular conformations and electronic structure of these three compounds were investigated by HeI photoelectron spectroscopy, photoionization mass spectroscopy, FT-IR, and theoretical calculations. They were theoretically predicted to prefer the [ss-c] conformation, with each C═O bond syn with respect to the opposite O-C bond and the C═C bond in cis orientation to the adjacent C═O bond. The experimental first vertical ionization potential for CH(3)C(O)OC(O)CHCH(2), CF(3)C(O)OC(O)CHCH(2), and CCl(3)C(O)OC(O)CHCH(2) was determined to be 10.91, 11.42, and 11.07 eV, respectively. In this study, the rule of the conformation properties of anhydride XC(O)OC(O)Y was improved by analyzing the different conformations of anhydrides with various substitutes. 相似文献
992.
993.
994.
通过城市竞争力的比较与分析,可以找出促进城市快速发展的突破口以及进一步提升城市竞争力的对策和策略.从已有的多家评价指标体系出发,选取反映静态维度的7个方面32个指标以及动态维度的4个方面共38个原始指标或生成统计指标,组成城市竞争力评价指标体系.采用主成分分析方法,对从地理位置和区域发展角度均具有代表性的大连、青岛、厦门3城市与宁波进行了单项和总量排序,并进行竞争力的比较分析,最后,就宁波市城市竞争力的提升提出了对策建议. 相似文献
995.
996.
利用不变本征算符法, 计算低温下自旋为1/2的XY模型一维亚铁磁棱型链系统的元激发谱, 讨论在此系统中不同的特殊情形下的元激发能量, 从而给出体系的三个临界磁场强度的解析解HC1, HC2, Hpeak. 分析不同外磁场下 体系的磁化强度随温度的变化规律, 发现三个临界磁场强度的解析解HC1, HC2, Hpeak是正确的, 并从三个元激发对磁化强度的贡献进行了说明. 低温下磁化强度随外磁场的变化呈现1/3磁化平台. 体系的磁化率随温度或者外磁场的变化都出现了双峰现象. 这说明双峰源于二聚体分子内电子自旋平行排列的铁磁交换作 用能和二聚体与单基体分子间电子自旋反平行排列的反铁磁交换作用能, 热无序能, 外磁场强度相关的自旋磁矩势能之间的竞争. 相似文献
997.
Transient‐Ligand‐Enabled ortho‐Arylation of Five‐Membered Heterocycles: Facile Access to Mechanochromic Materials 下载免费PDF全文
Bijin Li Kapileswar Seth Ben Niu Lei Pan Huiwen Yang Prof. Dr. Haibo Ge 《Angewandte Chemie (International ed. in English)》2018,57(13):3401-3405
Reported herein is the first example of a direct arylation of heteroarenes by a transient‐ligand‐directed strategy without the need to construct and deconstruct the directing group. A wide range of heteroarenes undergoes the coupling with diverse aryl iodides to assemble a large library of highly selective and functionalized 3‐arylthiophene‐2‐carbaldehydes. This route provides an opportunity to rapidly access new mechanofluorochromic materials. Moreover, a novel strategy for mechanochromic luminogens with chromism trends of red‐ and blue‐shifts has been disclosed for the first time by facile functional‐group modifications to a common structural core. 相似文献
998.
Three copper(II) coordination polymers [Cu(mbtz)2(NCS)2]n ( 1 ), [Cu(mbtz)2Cl2]n ( 2 ) and [Cu(mbtz)(btec)0.5]n ( 3 ) (mbtz=1,3‐bis(1,2,4‐triazol‐1‐ylmethyl)benzene, btec=1,2,4,5‐benzenetetracarboxylate) were synthesized. In 1 and 2 , two mbtz ligands are wrapped around each other and are held together by Cu(II) atoms to form one‐dimensional double chain. In 3 , each btec ligand connects four Cu(II) atoms through its four carboxylate groups, resulting in a planar two‐dimensional [Cu(btec)0.5]n network. The Cu(II) atoms are further coordinated mbtz ligands to fulfil their coordination geometry and construct new [Cu(btec)0.5(mbtz)]n network. 2 and 3 further form the three‐dimensional network through the π···π stacking interactions between the mbtz ligands. The thermal stabilities of 1 , 2 and 3 were measured. 相似文献
999.
X Mei S Yang D Chen N Li H Li Q Xu J Ge J Lu 《Chemical communications (Cambridge, England)》2012,48(80):10010-10012
Hollow mesoporous silica nanoparticles (HMSs) were modified by β-cyclodextrin via a "click" reaction, an amphiphilic copolymer with a trans-azobenzene structure was then assembled onto β-cyclodextrin to cover the surface of the HMSs. The prepared nanocomposites can release drugs in a "release-stop-release" manner by converting light irradiation. 相似文献
1000.
Chao Liang Shu‐ying Han Jun‐qin Qiao Hong‐zhen Lian Xin Ge 《Journal of separation science》2014,37(22):3226-3234
A strategy to utilize neutral model compounds for lipophilicity measurement of ionizable basic compounds by reversed‐phase high‐performance liquid chromatography is proposed in this paper. The applicability of the novel protocol was justified by theoretical derivation. Meanwhile, the linear relationships between logarithm of apparent n‐octanol/water partition coefficients (logKow′′) and logarithm of retention factors corresponding to the 100% aqueous fraction of mobile phase (logkw) were established for a basic training set, a neutral training set and a mixed training set of these two. As proved in theory, the good linearity and external validation results indicated that the logKow′′–logkw relationships obtained from a neutral model training set were always reliable regardless of mobile phase pH. Afterwards, the above relationships were adopted to determine the logKow of harmaline, a weakly dissociable alkaloid. As far as we know, this is the first report on experimental logKow data for harmaline (logKow = 2.28 ± 0.08). Introducing neutral compounds into a basic model training set or using neutral model compounds alone is recommended to measure the lipophilicity of weakly ionizable basic compounds especially those with high hydrophobicity for the advantages of more suitable model compound choices and convenient mobile phase pH control. 相似文献