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The stereochemical effect of the chiral amino acid residues on the formation of penta-coordinate phosphorus intermolecular mixed carboxylic-phosphoric anhydride from N-phosphorylamino acids was studied with density functional theory calculations at B3LYP/6-311G level.

用密度泛函方法在B3LYP/6-311G水平上对N-磷酰化氨基酸生成五配位磷酸羧酸混酐反应中手性氨基酸残基侧链的立体化学效应进行了研究。

As for the ester exchange reaction on phosphorus, it was found that N-phosphoryl histidine the fastest one among all of the N-phosphoryl aminoacids. The results studied by MNDO method indicate that due to theparticipation of imidazole group, the formation of hexa-coordinatephosphorus intermediate made the iso-propoxyl which is opposite toimidazole group more active than the other ones and much easier to leave.When iso-propoxyl left, a new penta-coordinate phosphorus intermediate wasformed, and it is sterically favorable to be attacked by an alcohol from theopposite direction of imidazole.

对于磷上酯交换反应,实验中发现N-磷酰组氨酸反应速度明显高于其它N-磷酰氨基酸,理论研究表明,侧键咪唑基参与下六配位磷中间体形成后,位于咪唑基对面的异丙氧基反应活性大大提高,即从咪唑基的对面位置发生异丙氧基的离去和另一分子醇的进攻,在能量上和空间上都是有利的。N-磷酰丝氨酸的磷上酯交换反应有着类似的特点。

Rare earth complexes can coordinated to the surface of sulphonated polystyrene microspheres when the content of EuCl〓 was not saturated. Rare earth complexes may aggregate when the content of EuCl〓 exceed to saturation.

当EuCl〓的含量未达到配合的饱和程度时,稀土配合物均匀地配合在PS微球表面,而当稀土配合物的含量超过微球表面的配位能力之后,稀土配合物就会发生团聚。

Europium complex was successfully introduced to the surface of sulphonated polystyrene microspheres by coordination. Four composites with different EuCl〓 content were prepared and the products were characterized by transmission electron micrograph.

论文还通过配位作用将稀土配合物连接到PS微球表面,研究了4种不同EuCl〓含量的复合体系,并对其形貌进行了比较和分析。

The supramolecular chemistry is one of the most active research fields in modern science.

配位金属聚合物的超分子自组装是当今化学中最为活跃的研究领域之一。

In this paper, the similarity between the developing history of supramolecular chemistry and of coordination chemistry were discussed briefly.

简短地讨论了超分子化学的发展历史与配位化学发展历史的某些相似性。

X-ray single crystal diffraction study reveals that the Zn atom is five-coordinated, Furthermore, a 2D superamolecular network is constructed via the tetracarboxylate bridged binuclear of Zinc SBU ,and the amino substituent results in the formation of hydrophilic 2D structure of the title complex.

该配合物中,锌离子为5配位,2个Zn原子和4个羧基形成的双核锌结构单元,进而形成二维方格式平面结构,氨基取代基导致配合物具有亲水性。

Structural analysis reveals that the assemblies of these complexes are mainly directed by counter anions, followed with the change of anions from simple inorganic species (SCN~-/dca/Cl~-) to organic ones (ip/nip/tp/chdc), diversiform structures are formed varying from mononuclear, tetranuclear molecules to infinite 1-D and 2-D frameworks.

第三章利用4-bpt的同分异构体4-氨基-3,5-双(2-吡啶基)-1,2,4-三唑(2-bpt)作为螯合试剂,与多种无机/有机阴离子以及金属Cd~盐反应,得到了一系列Cd~配位化合物(7-15)。

The complex 1 features a 2D tetrazole coordination polymer.

化合物1为二维四唑配位聚合物。

Thermochemical study shows the loss of lattice H2O at 60°C and then the coordinate H2O.

热重分析表明,晶体约在60°C开始失去结晶水,紧接着开始失去配位水。

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According to the clear water experiment, aeration performance of the new equipment is good with high total oxygen transfer coefficient and oxygen utilization ratio.

曝气设备的动力效率在叶轮转速为120rpm~150rpm时取得最大值,此时氧利用率和充氧能力也具有较高值。

The environmental stability of that world - including its crushing pressures and icy darkness - means that some of its most famous inhabitants have survived for eons as evolutionary throwbacks, their bodies undergoing little change.

稳定的海底环境─包括能把人压扁的压力和冰冷的黑暗─意谓海底某些最知名的栖居生物已以演化返祖的样态活了万世,形体几无变化。

When I was in school, the rabbi explained everythingin the Bible two different ways.

当我上学的时候,老师解释《圣经》用两种不同的方法。