Isolation, characterization, and theoretical study of La2@C78

A new metallofullerene, La2@C78, has been synthesized by DC arc discharge method, isolated by high-performance liquid chromatography, and characterized by laser desorption time-of-flight mass spectrometry, UV-vis-NIR absorption, differential pulse voltammetry, 13C NMR spectroscopy, and theoretical calculations. The La2@C78/CS2 solution is dark violet and presents several characteristic absorption features at 647, 561, 533, and 386 nm, with an onset around 1000 nm. With respect to empty D3-C78, the capability of La2@C78 as an electron acceptor or donor is stronger. Addition of 1,1,2,2-tetrakis(2,4,6-trimethylphenyl)-1,2-disirane to La2@C78 photochemically, as well as thermally, affords bis- and mono-adducts. Theoretical studies and 13C NMR spectroscopic analysis of La2@C78 indicate that it possesses a D3h-C78 cage (78:5).     

Enhancive Synthesis of ‐lβ, 11‐Diol‐4‐en‐eudesmol

An enhancive synthesis of ?1β, 11‐diol‐4‐en‐eudesmol, starting from 2‐chloroacrylonitrile, is described. The effect of temperature on the Diels‐Alder reaction of 2‐chloroacrylonitrile with 2‐methylfuran and the condition of cationic cyclization of diene were discussed in detail.     

粉煤灰与复合添加剂的固相反应过程分析

煤灰分中主要矿物质之间的反应对灰分特性有着重要影响。本文在具有温控的小型高温反应器中对粉煤灰和复合添加剂所组成的混合灰样进行了静态煅烧试验，并对煅烧后的灰样进行了X射线衍射分析（XRD），着重讨论了温度和时间以及复合添加剂量对灰分矿相组成特性的影响。试验结果表明：当温度低于1200℃时，灰色中主要是游离态的氧化物和部分新生成的矿物如钙黄长石，硅酸二钙；当温度在1200℃-1300℃时，灰分中的主要矿物是钙黄长石，当温度在1320℃－1350℃时，灰分主要矿物是硅酸二钙，同时存在一定量的硅酸三钙、铝酸三钙、铁铝酸四钙以及硫铝酸钙。随着灰分中氧化钙的含量增加，高碱性矿物含量逐渐增大，同时高温下加热持续时间过长，部分新生成的矿物将发生分解。     

阿利新蓝的合成

阿利新蓝 (ＡｌｃｉａｎＢｌｕｅ)是一种从植物中提取出的天然物。于 1 944年由Ｈａｄｄｏｃｋ和Ｗｏｏｄ在实验室通过多次实验后所发现。它的水溶液呈天蓝色 ,着色性好而且吸光系数很大。又因它较好的水溶性。所以可以作为高效的生物染色剂[1,2 ] ,用于粘蛋白染色、细菌染色及聚酯、纤维素等人造和天然纤维的染料[3 ] 。基于它的重大应用前景和较高的商业价值 ,探索出一条合理的工业化合成路线就非常重要了。有关阿利新蓝的应用虽然有很多 ,但始终未见合成阿利新蓝的文献报道。在设计它的有机合成时必然涉及酞菁铜 (ＰｃＣｕ)的氯甲基化反…     

Sensitivity in Supramolecular Architectures of Polyaromatic Salts Containing Two Singly‐Pimerized Bipyridines

Three novel supramolecular arrays of zigzag polyaromatic salts are reported. Both the conformation and disposition of the dications are subjected to various noncovalent interactions. Thus, the presence or absence of the π‐π interacting enclathrated molecules, the efficient packing and the involved hydrogen bonding interactions of anions, as well as the increased hydrophobic property of the dications themselves exert influence.     

A New Dimeric Phthalide from Angelica sinensis

Angelica sinensis (Oliv.) Diels (Umbelliferae), known as Danggui in Chinese, one of the most important traditional Chinese medicines, is used for tonifying blood and treating female irregular menstruation and amenorrhoea. It is also used for treatment of …     

检测易爆气体的催化发光传感器研究

报道了一种用于定量分析易爆气体混合物丙烷和异丁烷的基于碳酸锶纳米材料的催化发光传感器。基于该传感器在不同温度下对两种气体的灵敏度不同，在320℃和342℃两个工作温度下，两种气体的浓度范围均为1000mL／m^3～10000mL／m^3时，分别建立了混合组分浓度相对催化发光强度的两个线性回归方程。在342℃时，丙烷和异丁烷的检出限（3σ）分别为50mL／m^3和20mL/m^3。可通过解上述两个联立方程式求得未知混合物中两组分的浓度。外来物质甲烷、乙烷、CO、氨气通过传感器时，甲烷和乙烷分别引起5．6％和17．2％的干扰，其它气体不干扰测定。20000mL／m^3的水蒸气不干扰2000mL／m^3丙烷和异丁烷气体的测定。用该法分析了人工合成样品中两种气体的浓度。     

Studies on Chemical Constituents of Polygonum Ciliinerve Ohwi

Three new apianen lactones Maomailiaoine I ( 1 ), Maomailiaoine II ( 2 ) and Maoimaliaoine III ( 3 ), together with one known apianen lactone, five known flavonoids and three other known compounds were isolated from Polgonum ciliinerve Ohwi. Their structures were deduced from spectroscopic methods and 2D NMR techniques.     

Theoretical Study on the Structures and Stability of Isomers and Complex of[Si,C,O,O] Sytem

A detailed singlet potential energy surface(PES) of [Si,C,O,O] system including a van der Waals (vdW) comples SiO……CO2,eight isomers,and twelve transiton states is investigated by MP2 and QCISD(T) (single-point)methods.At the final QCISD(T)/6-311 G(2df)//MP2/6-311G(d) level with zero-point energy included,the complex SiO……CO is found to be thermodynamically and kinetically the most stable species.Although eight ismoers are located as local energy minima,they are rather unstable toward isomerization to the dissociation fragments or comples.For the reaction of silocon atoms with carbon dioxide,two competitive reaction channels are found,and the primary pathway,which leads to the products of SiO and CO fragments,is the direct oxygen-abstraction process from carbon dioxide by silicon atom with a41.16 kJ/mol reaction barrier height.Our predications are in good agreement with previous experimental and theoretical studies.     

CH_3O与CIO双自由基反应机理的量子化学研究

在QCISD(T)/6-311+G(d,p)//B3LYP/6-311+G(3df,3pd)水平上,对CH3O与ClO双自由基反应进行了理论研究.结果表明,该反应共有三个反应通道,产物分别为HOCI+CH2O,CH2O2+HCl和CH3Cl+O2(1△).不论从动力学角度,还是从热力学角度看,形成产物HOCl+CH2O的通道均是最有利的,因此为主要反应通道,这与实验观察到的结果是一致的.