邻苯二胺合钴氧合反应的研究Ⅰ 水溶液中配合物及其氧合配合物稳定常数的测定

自１９３８年Tsumaki报道犤１犦氧载体以来，这方面的研究已有很大进展犤２犦，只是理论研究居多。氧载体的氧合常数是氧载体研究中的一个重要参数，它的测定是氧载体研究中的一项重要内容，用pH电位法测定氧载体的氧合常数已有研究报道犤２～４犦，作者在研究中发现，邻苯二胺合钴（o－Phdn－Co）配合物在固相和水溶液中与O２反应时表现出很大差异，其反应产物的组成比分别为液相配合物Co∶O２＝２∶１，而固相配合物Co∶O２＝１∶２，为究其成因和进行理论探讨，有必要先测定其氧合常数。由于o－Phdn－Co配合物的配位常数也未见文献…     

石墨烯负载高活性Pd催化剂对乙醇的电催化氧化

以石墨粉为原料, 采用Hummers法液相氧化合成了氧化石墨(GO), 然后用化学一步还原制得石墨烯负载钯催化剂. X射线衍射(XRD)、透射电镜(TEM)表征表明, Pd在石墨烯载体上有较好的分散度, 粒径为3-5 nm. 电化学活性面积(EASA)、循环伏安(CV)、计时电流(CA)和计时电位(CP)等电化学测试表明, 与传统Pd/Vulcan XC-72相比, Pd/石墨烯催化剂对碱性介质中乙醇电催化氧化的催化活性有了很大的提高.     

Theoretical Study on the Structures and Electronic Spectra of the Derivatives of C_(60)-P-2,4,6-Triphenyl Borazinc

1 INTRODUCTION The electron-transfer reaction of C60 derivatives, especially light-induced electron-transfer reaction, has been an active research field for a long time. Many researches are focused on the long-live charge- separated state caused by electron-transfer[1]. And several electron-transfers between electron donor and C60 or intramolecular electron-transfer have been confirmed. As an example, TTF-C60 is proved to be a short-live charge-separated compound[2].Due to the excelle…     

Palladium-catalyzed ortho-C–H silylation of biaryl aldehydes using a transient directing group

A strategy for Pd-catalyzed ortho-C–H silylation of biaryl aldehydes enabled by a transient auxiliary is presented. This protocol provides a broad range of ortho-silylated biaryl aldehydes in good yields. The silyl moiety can be further functionalized under mild conditions, rendering the silylated products useful building blocks. Notably, this protocol also offers an opportunity to establish a platform for expeditious synthesis of structurally diverse axially chiral biaryl aldehydes via sequential atroposelective interannular C–H functionalization/intraanular C–H silylation.     

石墨烯负载高活性Pd催化剂对乙醇的电催化氧化

以石墨粉为原料, 采用Hummers法液相氧化合成了氧化石墨(GO), 然后用化学一步还原制得石墨烯负载钯催化剂. X射线衍射(XRD)、透射电镜(TEM)表征表明, Pd在石墨烯载体上有较好的分散度, 粒径为3-5 nm. 电化学活性面积(EASA)、循环伏安(CV)、计时电流(CA)和计时电位(CP)等电化学测试表明, 与传统Pd/Vulcan XC-72相比, Pd/石墨烯催化剂对碱性介质中乙醇电催化氧化的催化活性有了很大的提高.     

台风过后网箱养殖大黄鱼恢复过程中血清代谢物变化的研究

为了考察台风影响后鱼类恢复过程中血清代谢物的变化,利用超高效液相色谱-四极杆-飞行时间质谱,电喷雾电离源分别在正负离子模式下,对超强台风"罗莎"影响后的象山港网箱养殖大黄鱼血清进行为期半个月的测定,并通过SIMCA-P软件进行主成分分析和正交偏最小二乘法辨别分析.结果表明,大黄鱼恢复过程中潜在生物标志物主要为磷脂酰胆碱和溶血磷脂酰胆碱.另外还有皮五醇和牛黄胆酸.其中,溶血磷脂酰胆碱、含高不饱和度脂肪酰基的磷脂酰胆碱(总不饱和度之和大于9)和牛黄胆酸在恢复过程中均呈现增加的趋势; 而含低不饱和度脂肪酰基的磷脂酰胆碱(总不饱和度之和小于8)和皮五醇则呈现减少的趋势.这些代谢指标物的变化,体现了大黄鱼在台风后恢复过程中,通过皮质类激素调节脂类物质代谢的结果.     

偶氮四唑叠氮基甲脒AFZT高压物性的第一性原理计算

偶氮四唑叠氮基甲脒AFZT的爆轰性能表现优异,在高能炸药领域中具有广阔的应用前景.本文采用基于密度泛函理论的第一性原理方法计算了AFZT在0～50 GPa压力下的晶体结构、电子性质以及氢键相互作用,并分析了这些性质在压力下的变化规律.在压力的作用下,AFZT晶体在5 GPa下发生了结构转变并伴随着电子结构中带隙值的突变,其带隙先减小后增大再减小,总态密度的峰值随着压力的增加而减小.结构中叠氮甲脒阳离子上的N8-N9与N9-N10键在压力下表现得最稳定,N-H^…N类型的氢键在所有相互作用中占据主导地位.此外,AFZT结构沿不同晶轴压缩的难易程度与此方向上氢键相互作用分布的疏密有关,并且其氢键主要沿xz平面分布而在y轴上分布极少,这导致了它沿y轴方向最易被压缩.     

Alpha decay energies and half-lives for possibly synthesized superheavy elements

We investigate the ground state properties of some superheavy nuclei, which may be synthesized in future experiments. Special emphases are placed on the alpha decay energies and half-lives. The alpha decay energies and half-lives from different theoretical models are compared and discussed comprehensively. Through these calculations and comparisons, the optimal superheavy elements to be synthesized in future experiments are proposed theoretically.     

Modified radiation laws of a rectangular Kerr nonlinear blackbody

A Kerr nonlinear blackbody (KNB) is a new kind of blackbody in which bare photons with opposite wave vectors and helicities are bound into pairs and unpaired photons are transformed into nonpolaritons. In the present paper, we focus our investigation on the modified radiation laws, such as Planck and Stefan-Boltzmann radiation laws, of a rectangular KNB. Besides, the case of a KNB with no symmetry axes is also discussed. Finally, we make a numerical calculation of modified radiation laws of a cubic KNB under appropriate conditions, and we consider this work may lay the foundation for the experimental verification of the model of a KNB.