首页 | 本学科首页   官方微博 | 高级检索  
文章检索
  按 检索   检索词:      
出版年份:   被引次数:   他引次数: 提示:输入*表示无穷大
  收费全文   50篇
  免费   0篇
  国内免费   13篇
化学   54篇
晶体学   1篇
物理学   8篇
  2020年   2篇
  2019年   1篇
  2018年   1篇
  2017年   1篇
  2015年   1篇
  2013年   2篇
  2012年   12篇
  2011年   5篇
  2010年   4篇
  2009年   6篇
  2008年   8篇
  2007年   2篇
  2006年   2篇
  2005年   3篇
  2004年   3篇
  2003年   1篇
  2002年   1篇
  2000年   1篇
  1996年   1篇
  1995年   1篇
  1994年   2篇
  1993年   1篇
  1990年   1篇
  1989年   1篇
排序方式: 共有63条查询结果,搜索用时 15 毫秒
1.
4H-Pyrans (4H-Pys) and 1,4-dihydropyridines (1,4-DHPs) are important classes of heterocyclic scaffolds in medicinal chemistry. Herein, an indium(III)-catalyzed one-pot domino reaction for the synthesis of highly functionalized 4H-Pys, and a model of 1,4-DHP is reported. This alternative approach to the challenging Hantzsch 4-component reaction enables the synthesis of fused-tricyclic heterocycles, and the mechanistic studies underline the importance of an intercepted-Knoevenagel adduct to achieve higher chemoselectivity towards these types of unsymmetrical heterocycles.  相似文献   
2.
利用(含时)密度泛函理论研究了二甲基胺-二苯甲酮(DMABP)及其氢键二聚物DMABP-MeOH的光物理性质和弛豫动力学过程. 结果表明,在非极性和非质子性溶剂中,DMABP分子的第一和第二激发态跃迁同时具有局域激发和分子内电荷转移的特征;在极性质子性溶剂中,分子间氢键C=O…H-O的形成增加了这两个最低激发态之间的能量差,使DMABP-MeOH的第一激发态具有较强极性的分子内电荷转移特性. 通过计算DMABP和DMABP-MeOH分子的激发态构型弛豫势能曲线研究了激发态动力学弛豫过程. 结果表明,通过扭  相似文献   
3.
Efficient and modular syntheses of chiral 2-(2-hydroxyaryl)alcohols (HAROLs), novel 1,4-diols carrying one phenolic and one alcohol hydroxyl group, have been developed which led to generation of a small library of structurally diverse HAROLs in enantiomerically pure form. Of the different HAROLs examined, a HAROL based on the indan backbone exhibited the highest activity and enantioselectivity in the 1,2-addition of certain organometallic compounds to aldehydes in the presence of Ti(OiPr)4 (up to 97% y, 88% ee) and performed as a hydrogen-bond donor organocatalyst in the Morita-Baylis-Hillman reaction, promoted by trialkylphosphines.  相似文献   
4.
Condensation of 1H-indole-2,3-dione (isatin) with (R)-(Ar)-ethylamines gives enantiopure Schiff bases, 3-{(R)-(Ar)-ethylimino}-1,3-dihydro-indol-2-one (HL) {Ar?=?Ph (HL1), 2-MeOC6H4 (HL2), 4-MeOC6H4 (HL3), 4-BrC6H4 (HL4), and 1-naphthyl (HL5)}. The Schiff bases readily coordinate to [Rh(μ-O2CMe)(η4-cod)]2 (cod?=?1,5-cyclooctadiene) to give mononuclear [Rh(η4-cod){3-((R)-(Ar)-ethylimino)-3H-indol-2-olato}] {Ar?=?Ph (1), 4-MeOC6H4 (2), and 4-BrC6H4 (3)}, respectively. The Schiff bases and complexes have been fully characterized by IR, UV-Vis, 1H-NMR, mass, and circular dichroism (CD) spectrometry. Polarimetry and CD measurements show the enantiopurity of the Schiff bases as well as the complexes. 1H NMR measurements reveal slow conversion of the lactam to the enol form of the Schiff bases in solution. In the solid state the lactam form dominates as shown by crystal structures of HL1 and HL4. While gross structural features of both are similar, the molecules differ significantly in the relative orientations of the aryl and lactam rings. The difference is mostly rotation about the N2–C9 bond with different C8–N2–C9–C11 torsion angle of +89.77(12)° for HL1 and C2–N2–C9–C11 of +106.8(3)° for HL4.  相似文献   
5.
The present study uses the Mattedi–Tavares–Castier EOS to investigate VLE predictions for refrigerant binary mixtures. The refrigerant molecules are treated either by the associated-group or the uniform-molecular model. In the associated-group model, the refrigerant molecule is split into three groups: an electron-donor (α), an electron-acceptor (β), and a dispersion group (D). In the uniform-molecular model, the refrigerant molecule is represented as a single group. Results obtained with the MTC EOS are in agreement with experimental data reported in the literature. The EOS that treats refrigerant molecules with groups that can associate gives worse results than the uniform-molecular model.  相似文献   
6.
Boron difluoride dipyrromethenes bearing configurationally different amine groups on a meso-phenyl ring were prepared and crystallized. The ortho- and para-amino groups allow the phenyl group to inductively release greater electron density into the dipyrromethenes resulting in relatively strong intermolecular hydrogen-bonding with the terminal BF2 groups, whereas the meta-analog formed weaker hydrogen-bonds. The intensities of the 1H NMR peaks in concentrated solutions all increased with F-decoupling.  相似文献   
7.
The design of building blocks composed ofsmall molecular components,which form well-defined and stable aggregates in solutions,is anactive area of common interests[1,2 ] .The process ofself- organization of the hydrogen- bond complexesfrom those components facilitates the formation ofhierarchical supramolecular structures[3— 7] .Inorder to generate a specially desired packingpattern,the selection of the component moleculesand the form of hydrogen bonding are critical.Consequently,carboxylic a…  相似文献   
8.
在RHF/6-31G(d)水平下,对C5H10NH(NH3)n(n=1~3)氢键团簇的平衡构型进行了从头算研究,优化得到各种可能的平衡构型.C5H10NH(NH3)为线型氢键结构,而C5H10NH(NH3)2为三元环结构,C5H10NH(NH3)3为四元环结构.在MP2/6-31G(d)//B3LYP/6-31G(d)水平下,对最稳定构型C5H10NH(NH3)n(Ⅰ)(n=1~3)的分子轨道进行布居分析,并且对相应的占据轨道进行指认.C5H10NH(NH3)n(Ⅰ)(n=1~3)垂直电离势的计算结果表明,形成氢键团簇后,分子的垂直电离势降低.  相似文献   
9.
TheDifferenceofElectronicPropertiesandtheEffectofHydrogen-bondofcis-andtrans-PolyazomethineWANGRong-shun,PANXiu-meiandSUZhong...  相似文献   
10.
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号