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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
2.
3.
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.
Y. A. Coutinho J. A. Martins Simões C. M. Porto 《Zeitschrift fur Physik C Particles and Fields》1997,73(4):705-709
In this paper we investigate the effects of heavy Majorana neutrinos in the reaction e + e ? → W + W ?. We consider neutrino masses in the 1–10 TeV region. We show that at LEP II and NLC energies it is possible to use this processes to verify indirect evidence of heavy neutral particles with mixing angles of the order sin2 α = 0.01. We discuss the unitarity restrictions that can be obtained for vector singlet and fermion-mirror-fermion models. 相似文献
5.
One of the shortcomings of R&D evaluation is a lack of emphasis on analytical assessment of the value of an on-going R&D project. This paper addresses the problem concerning the distributive aspect of access to superior knowledge. Decision tree analysis and probability models appear to be appropriate tools for assessing the values of an intermediate result and patent reward of a firm's R&D decision in an environment of perfect information and oligopolistic competition. The assessed values are used as minimum prices acceptable to the firm when the knowledge is disseminated to the public. This paper will attempt to resolve this problem through the determination of the appropriate values of the reservation price of the first-stage invention in terms of the final reward and of a patent reward for which the inventor is willing to apply. 相似文献
6.
Chi Kin Chau Kwang Mong Sim 《Operations Research Letters》2003,31(5):327-334
By showing that there is an upper bound for the price of anarchyρ(Γ) for a non-atomic congestion game Γ with only separable cost maps and fixed demands, Roughgarden and Tardos show that the cost of forgoing centralized control is mild. This letter shows that there is an upper bound for ρ(Γ) in Γ for fixed demands with symmetric cost maps. It also shows that there is a weaker bound for ρ(Γ) in Γ with elastic demands. 相似文献
7.
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
8.
Jien Wu Xiao-Fang Cheng Leslie J. Harrison Swee-Hock Goh Keng-Yeow Sim 《Tetrahedron letters》2004,45(52):9657-9659
Examination of the aerial parts of a Chinese herbal medicine yielded a novel metabolite, perforatumone 1, which is characterized by its unique carbon skeleton. Its structure was determined by detailed spectroscopic analysis. 相似文献
9.
Do Young Kim Ji Sim Jung Young Rae Jang Kun Ho Yoo Jin Jang 《Physica E: Low-dimensional Systems and Nanostructures》2003,16(3-4):400
We studied the growth of nanocrystalline silicon (nc-Si) thin film exhibiting a strong room temperature photoluminescence (PL) at 1.81–2.003 eV. The amorphous silicon was crystallized by Ni silicide mediated crystallization (Ni SMC) and then Secco-etched to exhibit the PL. The PL peak energy and intensity increase with increasing the metal density on the a-Si because of the reduction in the grain size down to 2 nm. The photoluminescence energy and peak intensity depend strongly on the Secco etch time because the grain size is reduced by etching the grain boundaries. 相似文献
10.
The facility layout problem is concerned with finding the most efficient arrangement of a given number of departments with unequal area requirements within a facility. The facility layout problem is a hard problem, and therefore, exact solution methods are only feasible for small or greatly restricted problems. In this paper, we propose a spring-embedding approach that unlike previous approaches results in a model that is convex. Numerical results demonstrating the potential of our model and the efficiency of our solution procedure are presented. 相似文献