YN相互作用和轻超核∧^5He结合能的计算

在手征SU(3)夸克模型基础上，用共振群方法，给出∧N相互作用的非定域位，并用于轻超核∧^5He的结合能的计算，得到了与实验和其他方法相近的结果．     

Theoretical study on the lithium bond interaction of furan homologues C_4H_4Y (Y=O, S) with LiCH_3 via DFT and MP2

The optimizations geometries and interaction energy corrected by BSSE of the complexes between C4H4Y (Y=O, S) and CH3Li have been calculated at the B3LYP/6-311 G** and MP2/6-311 G** levels. Three complexes were obtained. Abnormally, the calculations showed that all the C10—Li14 bond lengths increased obviously but the blue-shift of C10—Li14 stretching frequency occurred after formed complexes. The calculated binding energy with basis set super-position error (BSSE) and zero-point vibrational energy corrections of complexes I―III is ?45.757, ?35.700 and ?39.107 kJ·mol?1, respectively. The analyses on the combining interaction with the atom-in-molecules theory (AIM) also showed that a relatively strong lithium bond interaction presented in furan homologues C4H4Y---LiCH3 systems. Natural bond orbital theory (NBO) analysis has been performed, and the results revealed that the com- plex I is formed with n-σ type lithium bond interaction between C4H4O and LiCH3, complex II is formed with π-s type lithium bond interaction between C4H4O and LiCH3, and complex III is formed with π-s and n-s type lithium bond interactions between C4H4S and LiCH3, respectively.     

Solid-state Synthesis of Carbon-nanostructures

1 Results In addition to single wall and multiwall carbon nanotubes[1], several structures,which are more or less related to fullerenes,including carbon nanohorns[2a], carbon nanospheres[2b] and onion like carbon structures[2c] have been reported.A new simple straight forward method to access some of these structures is the solid-state pyrolysis of different organometallic complexes in a sealed vessel,which led so far to carbon nanotubes[3a,b], carbon nanocables[3c] and onions[3d].     

Sex pheromone of the pine sawflyDiprion pini (Hymenoptera: Diprionidae): Chemical identification,synthesis and biological activity

The main component of the sex pheromone secretion of femaleDiprion pini L. (Hymenoptera: Diprionidae) from insects collected both in Finland and in France has been identified as athreo-3,7-dimethyl-2-tridecanol (8 ng per female) stereoisomer by GC-MS and synthesis. The secretion also contains lower and higher homologues in small amounts (1–4% of the main component). Combined gas chromatographic-electroantennographic detection showed activity in both natural and esterified extracts (acetates and propionates); the esters of the main component gave the largest responses. The acetates and propionates of the eight stereoisomers of 3,7-dimethyl-2-tridecanol were synthesized from enantiomerically highly enriched (>99% ee) building blocks. The stereochemistry of the main component was established to be (2S,3R,7R)-3,7-dimethyl-2-tridecanol by GC analysis of the natural material. It was purified by liquid chromatography prior to the GC analysis of both its pentafluorobenzoates and its isopropylcarbamates on a non-chiral polar column (ECD) and a chiral column (NPD), respectively. Field tests demonstrated that both the acetate and propionate of the main component (100 g of each applied on cotton roll dispensers) were active in attracting males, with or without the presence of several of the minor compounds. Experiments with smaller amounts of the acetate and the propionate (1 g in France and 50 g in Finland) demonstrated that the propionate was more active than the acetate, and that it also caught more males than a blend of the two compounds.     

烟酸钕Nd2(C5H4NCOO)6(H2O4的晶体结构

从ＬｎＡｌａＮＡ溶液（Ｌｎ＝Ｎｄ,Ａｌａ＝Ｌ－丙氨酸,ＮＡ＝烟酸）中得到烟酸钕晶体,其晶体结构用四元Ｘ射线衍射技术测定。化合物为二聚体结构,属单斜晶系,Ｐ２１／ｃ空间群,晶胞参数：ａ＝９．６８６（２）,ｂ＝１１．９９６９（１１）,ｃ＝１７．２２０６（１３）,β＝９２．５５０（９）°,Ｖ＝１９９９．２（４）３,Ｚ＝２,Ｄｃ＝１．８１６ｍｇ／ｍ３。Ｎｄ配位数为８,配位多面体为畸变四方反棱柱。     

杯芳烃的产生发展及应用

介绍了杯芳烃产生,发展及应用研究的新进展,展望了其广问的工业应用前景。     

三唑Schiff碱及其配合物的生物活性初探

初步考察了6种三唑Schiff碱及12种过渡金属配合物的杀菌、除草活性．结果表明,某些供试药对芹菜斑枯、黄瓜灰霉、油菜菌核等菌病的抑制作用较弱．对稗草、马唐草、油菜、苋菜的除草活性为：苗期茎叶处理的除草活性较苗前土壤处理的要高,尤以对苋菜生长抑制活性较高,鲜重抑制率可达50％～60％．     

半胱氨酸组成的二肽与锌络合的研究(部分一)──二肽和锌络合物的合成研究(英文)

制备了只由半胱氨酸组成的二肽,即Ｃ－保护的Ｈ－Ｃｙｓ－Ｃｙｓ－ＯＥｔ（１）和未保护的Ｈ－Ｃｙｓ－Ｃｙｓ－ＯＨ（２）．在碱的作用下等摩尔的肽和锌盐生成固体络合物．分析结果证实了锌络合物的组成．     

钨砷系列杂多蓝的研究Ⅱ——1∶11钨砷双系列稀土杂多蓝

利用控制电位电解的方法合成了４种未见文献报道的杂多蓝,Ｋ１１Ｈ２〔Ｌｎ（ＡｓＷ１１Ｏ３９）２〕·ｘＨ２Ｏ（Ｌｎ＝Ｌａ,Ｃｅ,Ｐｒ,Ｎｄ）,并利用等离子体原子发射光谱等对其进行了元素组成的分析,利用ＩＲ、ＵＶ、极谱、光电子能谱、电子顺磁共振、热重差热等测试手段,对其结构和性质进行了研究．     

手性膦配体催化剂在不对称合成中的应用研究

本文详细介绍了手性膦配体催化剂在不对称羰基化、芳基化、烷基化、硅氢化中的催化反应,并提出了研究手性膦配体催化剂的方向和存在的主要问题.