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The ~(13)C-~1H long-range coupling constants of β-pyridine carboxylic ester are determined with the method of folding of two-dimensional NMR J spectroscopy and prove consistent with their simulated spectra. The modified computer program which can shorten the experimental time of heteronuclear two-dimensional J spectroscopy and improve the work is introduced. The experiment is performed on the Varian FT-80A NMR spectrometer. 相似文献
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利用红外光谱技术考察了吸电性添加物(Cl~-,Br~-和I~-)及给电性添加物(Na_2O和K_2O)对CO在Ru/Al_2O_3催化剂上吸附态的影响。发现添加物不同时,CO吸收谱带的数目、位置及强度均有变化。同时考察了添加物浓度和吸附温度的影响,观察到添加物Cl~-与残留Cl~-对CO吸附的不同作用。 相似文献
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β-榄香烯振动光谱的量子化学从头计算 总被引:1,自引:1,他引:0
利用G98及GAMESS从头计算程序的RHF/6-31方法,对β-榄香烯的全部振动基频作了计算,并与实测红外光谱做了对比,归属了它们的振动模式,讨论了它们的特征基频,并对理论计算的振动频率进行了标度校正。 相似文献
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本文研究了α,α′-二氧代烯酮环二硫(氮)代缩酮的紫外光谱,指出了它们随化学结构而变化的一些特征。 相似文献
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CRYSTAL STRUCTURE OF RhCl(dppm)_2·H_2O 总被引:1,自引:0,他引:1
<正> C50H46OP4ClRh, RhCl(dppm)2 · H2O, Mr = 922. 2, monoclinic, P21/2, a=10. 532(3), b=22.574(8), c=18. 641(8) A, β=93. 41(3)°, V = 4424 (3) A3, Z = 4, Dc=1. 386 g. cm-3, λ(MoKα) = 0. 71073A , F(000) = 1904. The structure was determined by direct methods and difference Fourier syntheses and refined by full-matrix least-squares to final R = 0. 037 and Rw = 0. 036 for 3432 (F> 6. 0σ(F) ) observed reflections. The structure of the title compound contains RhCl-(dppm)2 and non-coordinated H2O molecules. The rhodium atom is coordinated by one chlorine atom and four phosphorus atoms of two DPPM ligands forming a tetragonal pyramidal configuration. 相似文献