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101.
对于NO分子轨道的能级次序现有两种不同的说法,不少人根据NO与O_2~+是等电子体,由O_2~+分子的能级次序确定NO分子组态。本文用NO和O_2~(+)从头计算结果以及NO的紫外光电子能谱相结合的方法说明NO的5σ轨道是弱成键轨道,5σ的轨道能稍高于1π轨道能,也就是说NO的能级次序是与N_2分子相同的;NO与O_2~+虽是等电子体,但是能级次序并不相同,因此由O_2~+的能级次序确定NO分子的电子组态是不妥的。 相似文献
102.
ChangLuSHAO HongYuGUAN ShangBinWEN BinCHEN XingHuaYANG JianGONG YiChunLIU 《中国化学快报》2004,15(4):492-494
Thin PVA/cobalt acetate composite fibers were prepared by using sol-gel processing and electrospinning technique.After calcination of the above precursor fibers,Co3O4 nanofibers with a diameter of 50-150 nm could be successfully obtained.The fibers were characterized by SEM,FT-IR,WAXD,respectively. 相似文献
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105.
TaoJIANG BuXingHAN GuoYingZHAO ZhongHaoLI YanHongCHANG HaiXiangGAO JunChunLI 《中国化学快报》2004,15(3):296-299
The oxidation of styrene with molecular oxygen catalyzed by PdCl2 CuCl2 has been investigated in supercritical CO2 with a batch reactor. The oxidative system of styrene contains four components at the beginning and seven components during the reaction. The critical temperature, critical pressure, and critical density at different conversions are determined by using a high-pressure view cell. The effect of phase behavior on the conversion and selectivity were studied. Experimental results showed that the critical parameters of the reaction mixture at fixed initial molar ratio changed with the conversion of reactant. The conversion of styrene reached maximum near the critical density of the reaction mixture. Product selectivity also varied with density of reaction mixture and could be tuned to some degree. 相似文献
106.
Xing Hai Li Xin Ling Yang Xiao Mei Liang Zhen Peng Kai Yun Ling Fu Heng Chen Dao Quan Wang 《中国化学快报》2007,18(12):1476-1478
α-Chlorocycloalkanones(Ⅳ) were synthesized from cycloalkanones via potassiumα-oxocycloalkylsulfonates(Ⅱ).A two-step mechanism was proposed to explain the formation ofⅣfromⅡ. 相似文献
107.
YueMingLIU FengMeiZHANG HaiHongWU HaiJiaoZHANG JianGuoYANG XingTianSHU MingYuanHE 《中国化学快报》2004,15(10):1258-1260
A SAPO-11 silicoaluminophosphate molecular sieve with stable crystal structure was synthesized for the first time. After removing template by calcination, its crystal space group still retains Icm2 which the as-synthesized has. The catalyst deriving from the present SAPO-I 1 materials shows higher isomerization selectivity and higher paraffin hydroisomerization yield than those reported elsewhere. 相似文献
108.
Hydrogenolysis of Cp*W(NO)(CH2CMe3)2 at room temperature in cyclohexene results in the formation of the intermediate 16e organometallic complex, [Cp*W(NO)(eta2-cyclohexene)]. This intermediate leads to three parallel transformations of cyclohexene, namely (a) C-H activation of cyclohexene to form an eta3-cyclohexenyl hydrido complex, (b) combination of cyclohexene and H2 to form a cyclohexyl hydrido complex, and (c) coupling of two molecules of cyclohexene with concomitant loss of two hydrogen atoms to form a complex containing a novel eta1,eta3-(cyclohexyl)cyclohexenyl ligand. Single-crystal X-ray crystallographic analyses of products resulting from transformations (b) and (c) have been effected. 相似文献
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[reaction: see text] Catalytic systems generated in situ from the chiral PNNP ligands with iridium or rhodium hydride complexes exhibited excellent catalytic activity and good enantioselectivity in the asymmetric transfer hydrogenation of aromatic ketones without added base. The best result was obtained in the IrH(CO)(PPh(3))(3)-ligand 2 catalytic system with up to 99% yield and 97% ee. 相似文献