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1.
Weiyi Li Geng Leng Caiqin Li Yajing Lyu 《International journal of quantum chemistry》2020,120(8):e26150
The mechanisms of CO2 coupling with the propargylic alcohol using alkali carbonates M2CO3 (M = Li, Na, K, Cs) have been investigated by means of density functional theory calculations. The calculations reveal that the target product tetronic acid (TA) is yielded through two stages: (a) the formation of the α-alkylidene cyclic carbonate (αACC) intermediate via Cs2CO3-mediated carboxylative cyclization of the propargylic alcohol with CO2, and (b) the conversion of the αACC intermediate with Cs2CO3 to produce the cesium salt of the TA. Since the overall kinetic barriers for the two stages are comparable and affordable, the excellent chemoselectivity to the TA should be primarily originated from the high thermodynamic stability of the cesium salt of the TA. Moreover, relative to the TA, the possibility to yield the by-product acyclic carbonate can be excluded due to the both kinetics and thermodynamic inferiority. This result is different from the organic base-mediated reaction. Alternatively, our calculations predict that CsHCO3 together generated with the cesium salt of the TA might also be an available mediating reagent for the incorporation of CO2 with the propargylic alcohol. Compared to other alkali carbonates M2CO3 (M = Li, Na, K), the stronger basicity of Cs2CO3 and the lower ionic potential of cesium ion can raise the effective concentration of the αACC intermediate, and thus the conversion of the αACC intermediate into the cesium salt of the TA can be achieved with high yield. 相似文献
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355nm Nd∶YAG激光在H_2中的高效一级斯托克斯转换 总被引:1,自引:1,他引:0
对脉冲Nd∶YAG激光(355 nm)在H2和H2∶He-Ar混合气体中的受激拉曼散射(SRS)进行了研究。在0.5 MPa的氢气中,同时测量到从二级反斯托克斯到三级斯托克斯的多波长输出,其总转化效率达88%;而高压下只剩下一级和二级斯托克斯输出,其中二级斯托克斯最大能量转化效率达44%(对应量子效率为63%)。由于高级斯托克斯的竞争,纯氢气中一级斯托克斯的最大能量转换效率不超过43%。通过向3 MPa氢气中掺入2 MPaAr气后,很好地抑制了二级斯托克斯的产生,从而获得了能量转换效率高达71%(对应量子效率为83%)的一级斯托克斯输出。对四波混频和级联受激拉曼散射在氢气多级斯托克斯产生中的作用以及惰性气体对它们的影响进行了讨论。 相似文献
4.
Yuxin Leng Lihuang Lin Wenyao Wang Yunhua Jiang Bin Tang Zhizhan Xu 《Optics & Laser Technology》2003,35(6):425-429
A birefringent crystal quartz plate of known thickness has been used as a spectral filter for spectral shaping in a Ti:sapphire regenerative amplifier. The spectral profile of the amplified pulse ejected from the regenerative amplifier was observed while adjusting the birefringent crystal plate in the cavity. By altering the gain spectrum, the bandwidth of the regeneratively amplified pulse was increased from 18 to 35 nm by using a 0.34-mm thick birefringent plate. The output pulse spectrum from the regenerative amplifier neared the bandwidth of the seed pulse. As a comparison, we used a coated filter outside the regenerative amplifier cavity, and the bandwidth of the regeneratively amplified pulse was stretched to 28 nm. When the bandwidth was stretched to 35 nm, the pulse was compressed to 35 fs. 相似文献
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This paper reviews our recent experimental and simulation results regarding the electromagnetic wave transmission through
three configurations of sandwiching structures of metamaterials: a metallic mesh sandwiched between two identical layers composed
of split rings, metallic fractals, and fractal slits, respectively. We observed the enhanced transmission of the waves through
these three types of sandwiching composites with respect to the opaque metallic mesh. The locations of the transmission peaks
in the spectrum are associated closely with the band characteristics of the sandwiching layer by appearing either on the left-
or the right-hand side of its band.
PACS 41.20.Jb; 42.70.Qs; 78.20.-e; 42.25.Bs; 47.53.+n 相似文献
7.
关于Gerber不等式的一个猜想 总被引:4,自引:1,他引:3
本文证明了陈计-单墫关于Gerber不等式的一个猜想,作为其应用,导出了单形内一点到顶点的距离与到面的距离的两个不等式. 相似文献
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