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The Stoichiometry, Structure and Possible Formation of Crystalline Diastereomeric Salts
Symmetry ( IF 2.2 ) Pub Date : 2021-04-13 , DOI: 10.3390/sym13040667
Dorottya Fruzsina Bánhegyi , Emese Pálovics

Knowing the eutectic composition of the binary melting point phase diagrams of the diastereomeric salts formed during the given resolution, the achievable F (F = eeDia*Y) value can be calculated. The same value can also be calculated and predicted by knowing the eutectic compositions of the binary melting point phase diagrams of enantiomeric mixtures of the racemic compound or the resolving agent. An explanation was sought as to why and how the crystalline precipitated diastereomeric salt—formed in the solution between a racemic compound and the corresponding resolving agent—may be formed. According to our idea, the self-disproportionation of enantiomers (SDE) has a decisive role when the enantiomers form two nonequal ratios of conformers in solution. The self-organized enantiomers form supramolecular associations having M and P helicity, and double helices are formed. Between these double spirals, with the formation of new double spirals, a dynamic equilibrium is achieved and the salt crystallizes. During this process between acids and bases, chelate structures may also be formed. Acids appear to have a crucial impact on these structures. It is assumed that the behavior of each chiral molecule is determined by its own code. This code validates the combined effect of constituent atoms, bonds, spatial structure, charge distribution, flexibility and complementarity.

中文翻译:

结晶非对映异构体盐的化学计量,结构和可能的形成

知道在给定分辨率下形成的非对映异构盐的二元熔点相图的共晶组成,可实现的F(F = ee Dia* Y)值可以计算出来。通过知道外消旋化合物或拆分剂的对映异构体混合物的二元熔点相图的低共熔组成,也可以计算和预测相同的值。寻求对为何以及如何形成在外消旋化合物和相应的拆分剂之间的溶液中形成的结晶沉淀非对映异构盐的解释。根据我们的想法,当对映异构体在溶液中形成两个非等比例的构象异构体时,对映异构体的自歧化(SDE)具有决定性作用。自组织的对映异构体形成具有M和P螺旋的超分子缔合,并形成双螺旋。在这些双螺旋之间,随着新的双螺旋的形成,实现了动态平衡并且盐结晶。在酸和碱之间的该过程中,也可能形成螯合物结构。酸似乎对这些结构具有至关重要的影响。假定每个手性分子的行为由其自身的代码决定。该代码验证了组成原子,键,空间结构,电荷分布,柔韧性和互补性的综合作用。
更新日期:2021-04-13
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