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However, the formation of metal chelation at one or two side of biphenyl resulted a pair of enantiomers of monometallic or bimetallic complexes. Moreover, if the coordinating groups have chiral element (e.g., chiral oxazolines), the diastereomeric metal complexes will be formed.

而且,如果配位基团上带有手性元素,它们跟金属配位后得到一对非对映异构体,由于手性元素的影响,形成这一对非对映异构体的能量是有差异的。

In addition ,nine new O,O-dialkyl-[α-(1,3,4,6-tetraacetyl-2-deoxy-β-D-glucoamino)-p-methyl benzlidene] phosphonatesand eight O,O-dialkyl-α-(2-deoxy-D-glucoamino)-p-methyl benzylidene phosphonates were prepared. The 〓 and〓 spectra of Ⅰ-Ⅴ compounds indicated clearly that each of Ⅰ-Ⅴ compounds contains two diastereo-isomers.

我们对非对映异构体的分离方法进行了研究,并分离得到了五个单一构型的异构体〓、〓、〓、〓和〓,培养出了〓、〓和〓三个异构体的单晶,通过X-射线衍射分析,确定了〓、〓和〓三个异构体的绝对构型,反应过程中引入的手性原子的构型均为R构型。

Theoretical studies on various geometrical structures of Hypophosphorous acid were carried out using DFT theoretical methods,at the B3LYP/6—311++G** level.Intramolecular proton transfer isomerization has also been studied using the intrinsic reaction coordinate.

采用量子化学密度泛函B3LYP方法,在6—311++G**基组水平上全优化得到了硫代次磷酸的硫酮式和硫醇式两种构型异构体以及相应的对映异构体,同时对分子内质子转移异构化反应微观机理进行了理论分析。

Theoretical studies on various geometrical structures of Hypophosphorous acid were carried out using DFT theoretical methods, at the B3LYP/6-311 ++ G(superscript **) level. Intramolecular proton transfer isomerization has also been studied using the intrinsic reaction coordinate.

采用量子化学密度泛函B3LYP方法,在6-311++G基组水平上全优化得到了硫代次磷酸的硫酮式和硫醇式两种构型异构体以及相应的对映异构体,同时对分子内质子转移异构化反应微观机理进行了理论分析。

The invention includes all sterioisomeric forms, including individual diastereoisomers and enantiomers of the compound of formula as well as racemic and non-racemic mixtures thereof.

本发明包括式化合物所有的立体异构形式,包括单个的非对映异构体和对映异构体,及其外消旋的和非外消旋的混合物。

This requirement may be satisfied by the submission of information such as the following: name (generic name, chemical name, code number); Chemical Abstracts Service number if available; description (e.g., appearance, color, physical state); molecular formula and molecular weight; structural formula (including ionic state if applicable); stereochemistry identifying chiral centers, cis-trans isomerism, etc.

该要求可以通过提供下述信息来满足:名称(通用名、化学名、编码等)、化学摘要服务编码、性状描述(如:外观、颜色、物理状态)、分子式和分子重量、结构式、立体化学(找出手性中心、顺式反式异性等)、对映结构体比率(如:外消旋物、规定的异构体、对映异构物和固态形式的混合物)、溶解度概况、分配系数、溶液 pH 值、解离常数、熔点或沸点、折射率、比重。

This requirement may be satisfied by the submission of information such as the following: name (generic name, chemical name, code number ); Chemical Abstracts Service number if available; description (e.g., appearance, color, physical state ); molecular formula and molecular weight; structural formula (including ionic state if applicable ); stereochemistry identifying chiral centers, cis-trans isomerism, etc.

有的话、描述(如:外观、颜色、物理状态)、分子式和分子重量、结构式、立体化学(找出手性中心、顺式贯穿异性等)、对映结构体或固态形式比率(如:外消旋物、规定的异构体、对映异构物和固态形式的混合物)、溶解性档案、分隔系数、溶液pH值、解离常数、熔点和沸点、拆射率、精确重力。

Mass spectrometry results revealed that the pair of eluents respresented a pair of ternary copper complexes with mixed ligands, providing the first experimental evidence. These complexes are diastereoisomer in nature. The optimized configuration of the diastereoisomer was predicted by theoretical calculation.

质谱实验结果表明,拆分组分是一对铜混合配体复合物离子,其中的一个配体是提供手性环境的流动相添加物,另一配体是待拆分物质的某一构型对映体,这对铜混合配体复合物离子本质上属于非对映异构体。

Enantiomer or solid-state form ratios (e.g., for racemates, and for defined admixtures of isomers or enantiomers or solid-state forms); solubility profile (aqueous and nonaqueous as applicable); partition coefficients; solution pH; dissociation constant; melting or boiling point; refractive index; specific gravity.

该要求可以通过提供下述信息来满足:名称(通用名、化学名、编码等)、化学摘要服务编码、性状描述(如:外观、颜色、物理状态)、分子式和分子重量、结构式、立体化学(找出手性中心、顺式反式异性等)、对映结构体比率(如:外消旋物、规定的异构体、对映异构物和固态形式的混合物)、溶解度概况、分配系数、溶液pH值、解离常数、熔点或沸点、折射率、比重。

Enantiomer or solid-state form ratios (e.g., for racemates, and for defined admixtures of isomers or enantiomers or solid-state forms); solubility profile (aqueous and nonaqueous as applicable); partition coefficients; solution pH; dissociation constant; melting or boiling point; refractie index; specific graity.

该要求可以通过提供下述信息来满足:名称(通用名、化学名、编码等)、化学摘要服务编码、性状描述(如:外观、颜色、物理状态)、分子式和分子重量、结构式、立体化学(找出手性中心、顺式反式异性等)、对映结构体比率(如:外消旋物、规定的异构体、对映异构物和固态形式的混合物)、溶解度概况、分配系数、溶液pH值、解离常数、熔点或沸点、折射率、比重。

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