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101.
A 2D HgII coordination polymer containing ligands 1,2,4‐triazole (Htrz) and thiocyanate, [Hg(μ3‐trz)(SCN)]n ( 1 ) has been synthesized and characterized by elemental analysis and IR spectroscopy. The single‐crystal X‐ray data show the coordination number of Hg atoms is four and the ligand trz? acts as a three‐fold donor. The thermal stability of compound 1 was studied by thermal gravimetric and differential thermal analyses. The composition and formation of the complex in methanol solution were found to be in support of its solid state structure. 相似文献
102.
Density functional method (DFT) (B3p86) of Gaussian98 has been used to optimize the structure of the Tc_2 molecule. The result shows that the ground state for Tc_2 molecule is an 11-multiple state and its electronic configuration is {}^{11}Σ_g^-, which shows the spin polarization effect of Tc_2 molecule of a transition metal element for the first time. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state does not mingle with wavefunctions of higher energy states. So, that the ground state for Tc_2 molecule is an 11-multiple state is indicative of the spin polarization effect of Tc_2 molecule of a transition metal element: that is, there exist 10 parallel spin electrons. The non-conjugated electron is greatest in number. These electrons occupy different spacious tracks, so that the energy of Tc_2 molecule is minimized. It can be concluded that the effect of parallel spin of the Tc_2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell--Sorbie potential functions with the parameters for the ground state {}^{11}Σ_g^- and other states of Tc_2 molecule are derived. Dissociation energy D_e for the ground state of T_{c2} molecule is 2.266eV, equilibrium bond length R_e is 0.2841nm, vibration frequency ω_e is 178.52cm^{-1}. Its force constants f_2, f_3, and f_4 are 0.9200aJ·nm^{-2}, --3.5700aJ·nm^{-3}, 11.2748aJ·nm^{-4} respectively. The other spectroscopic data for the ground state of Tc_2 molecule ω_eχ_e, B_e, α_e are 0.5523cm^{-1}, 0.0426cm^{-1}, 1.6331×10^{-4}cm^{-1} respectively. 相似文献
103.
Shujiang Tu Fang Fang Tuanjie Li Songlei Zhu Xiaojing Zhang 《Journal of heterocyclic chemistry》2005,42(4):707-710
A series of pyrimidoquinoline derivatives were synthesized through one‐pot condensation of 2,6‐diaminopyrimidin‐4‐one, aldehyde and cyclic a 1,3‐dicarbonyl compound in glycol under microwave irradiation without catalyst. The protocol in the absence of catalyst has the advantage of good yield (87‐95%), short reaction time (4‐7 min) and an environmentally friendly technique. 相似文献
104.
Yang Dai Faquan Li Xuewu Cheng Zhiling Jiang Shunsheng Gong 《Optics & Laser Technology》2007,39(7):1374-1379
In Shack–Hartmann wavefront sensor (SHWS), the behavior of the irradiance pattern produced by the micro-lens array is important for an accurate centroid estimation. In this paper, the behavior of a micro-lens array in SHWS is analyzed using Fourier optics, and reveals that in addition to the main, expected spots, secondary spots with smaller intensities also appeared as a result of diffraction by the small dimensions of the micro-lens and interference from the different micro-lenses. This result is confirmed by comparing with a irradiance pattern taken from an actual SHWS. The additional error in centroid estimation caused by these secondary spots is discussed and relationship to the parameters of the micro-lens of SHWS is analyzed. 相似文献
105.
For an arbitrary bounded closed set E in the complex plane with complement Ω of finite connectivity, we study the degree of convergence of the lemniscates in Ω. 相似文献
106.
多年来人们对实验教学加以重视的同时却陷入了一个误区:只重视做好课堂演示实验和学生分组实验,而忽视了课外小实验的作用.其实,经常性地引导学生自己动手,就地取材,开展课外小实验、小制作,对加强物理实验教学,加深对物理知识的理解,提高学生的分析解决问题的能力,将会起到重要的作用. 相似文献
107.
108.
5-Perfluorophenyl 4,5-dihydro-1H-pyrazoles were synthesized from 1,3-dipolar cycloaddition reaction of perfluorobenyl 2,4,6-triisopropylbenzenesulfonylhydrazone and α,β-unsaturated carbonyl compounds or acrylonitrile in THF or water. It was worthy to note that better results were obtained when water was employed as the solvent, which was considered as an effective, economic and environmentally friendly method to synthesize these pyrazole derivatives. 相似文献
109.
J. Song H. Jiang Z.J. Liu D.Y. Khang Y. Huang J.A. Rogers C. Lu C.G. Koh 《International Journal of Solids and Structures》2008,45(10):3107-3121
A finite-deformation theory is developed to study the mechanics of thin buckled films on compliant substrates. Perturbation analysis is performed for this highly nonlinear system to obtain the analytical solution. The results agree well with experiments and finite element analysis in wavelength and amplitude. In particular, it is found that the wavelength depends on the strain. Based on the accurate wavelength and amplitude, the membrane and peak strains in thin films, and stretchability and compressibility of the system are also obtained analytically. 相似文献
110.
Pengbo Jiang Tiexin Cheng Yan Liu Xianghao Cui Yingli Bi Kaiji Zhen 《Reaction Kinetics and Catalysis Letters》2004,82(1):49-56
The novel phase transfer catalysts S-8 [4-(dimethyloctylammonium) propansultan] and DB-X [1,4-bis(triethylmethylammonium)benzene dibromide] were synthesized and employed for high conversion synthesis of dichlorocyclopropane from various olefins.This revised version was published online in December 2005 with corrections to the Cover Date. 相似文献