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基于密度泛函理论研究了非对称双笼型单分子溶剂化电子e-@C24F22(NH)2C20F18(1、2 和3), 进一步展示了我们提出的一种新型电子异构体——(非对称型的)笼间电子迁移异构体. 1、2 和3 具有显著不同的偶极矩. 由于都存在两个氧化还原中心, 它们属于一种非金属型的新型Robin-Day II-III 分子. 对于1 和3, 额外电子分别定域在C24F22和C20F18笼里(Robin-Day II); 对于2, 额外电子则离域于两个非对称的笼中(Robin-Day III). 值得注意的是, 在y 轴方向上外加-0.0004和-0.0008 a.u.的临界电场(Ec)时可分别使1 的额外电子从C24F22笼中部分和全部地迁移到C20F18笼中, 即实现从1 到2 再到3 的转化; 当Ec为0.0004 a.u.时, 3 的额外电子从C20F18笼中全部迁移到了C24F22笼中, 即3 未经过2 直接转化成了1. 相似文献
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RONG Gang ZHAO Jia-Wei LIU Qi XUE Sheng-Tian CHEN Guang-Pei LI Pei-Qin LIU Jing MAO Ze-Pu LI Wei-Guo QIU Jin-Fa XU Chun-Cheng XIE Yue-Hong YUAN Ye ZHAO Hai-Wen 《中国物理C(英文版)》2001,25(2):154-159
Data offline calibration and reconstruction for the BES-Ⅱ TOF system are reported in this paper. After applying calibration constants to correct the measured raw data, a the resolution of 180 ps is obtained for the new TOF system. The power of charged particle identification is improved. The momentum for the 3σπ/K separation goes up to 0.93 GeV/c. 相似文献
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The active layer of all polymer solar cells(all-PSCs) is composed of a blend of a p-type conjugated polymer(p-CP) as donor and an n-type conjugated polymer(n-CP) as acceptor. All-PSCs possess the advantages of light weight, thin active layer, mechanical flexibility, low cost solution processing and high stability, but the power conversion efficiency(PCE) of the all-PSCs was limited by the poor photovoltaic performance of the n-CP acceptors before 2016. Since the report of the strategy of polymer... 相似文献
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Joginder S. Bajwa Guang-Pei Chen Kapa Prasad Oljan Repi? Thomas J. Blacklock 《Tetrahedron letters》2006,47(36):6425-6427
A very mild, efficient, and convenient method for deprotection of N-tosylated indoles and related structures by cesium carbonate in THF-MeOH is described. 相似文献
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By the reactions of manganese(II) acetate, 2-sulfoethylphosphonic acid, 1,10-phen (1,10-phen = 1, 10-phenanthroline) or cobalt(II) acetate, 4,4'-bipy and 2-carboxyethylphosphonic acid, two novel compounds of [Mn(H2O)2(C12H8N2)(HO3PCH2CH2CO2)] (1) and[Co(H2O)4 (C10H8N2)]· (HO3PCH2CH2CO2) (2) have been synthesized and characterized by IR spectroscopy, elemental analyses and single-crystal X-ray diffraction. Compound 1 has a 0D structure. Two Mn(II) ions are linked by two 2-carboxyethylphosphonic acid ligands, forming a centrosymmetric dimer. These dimers are further interlinked into a 2D layer structure by π-π stacking interactions and hydrogen bonds. Compound 2 has a 1D chain structure. The 2-carbo- xyethylphosphonic acid remains uncoor- dinated and acts as the organic template. By the bridge of 4,4'-bipy, the [Co(4,4'-bipy)]2+ chains are formed. 相似文献
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