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New chemical markers based on phthaleins

机译:基于邻苯酞的新型化学标志物

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摘要

New chemical markers based on mixtures of individual phthaleins were developed. These markers are characterized by high level of secrecy in use, good transferability to contacting persons, enhanced retention on the objects marked, and reliable identification of phthaleins by expert investigation. The experimental studies of the markers obtained show that the synthesized mixture of three phthalein homologs contains the previously unknown phthalein with unsymmetrical phenolic substituents, o-cresolphenolphthalein 3-(3'-methyl-4'-hydroxyphenyl)-3-(4aEuro(3)-hydroxyphenyl)phthalide, which decreases the probability of the marker falsification. Quantum-chemical calculations of the reaction of the o-cresolphthalein synthesis show that the overall reaction is characterized by small positive changes in the enthalpy and Gibbs free energy, and the second and third steps occur with negative changes in the Gibbs energy. The optimum structure of the transition state was calculated.
机译:开发了基于单个邻苯酞混合物的新化学标记物。这些标记物的特点是使用中高度保密,对接触者具有良好的可转移性,增强了对标记物体的保留性,以及通过专家调查可靠地鉴定酞类物质。对所得标记物的实验研究表明,合成的三种邻苯酞同系物的混合物中含有以前未知的邻酞与不对称的酚类取代基,邻甲酚酞[3-(3'-甲基-4'-羟基苯基)-3-(4aEuro(3)-羟基苯基)邻苯二甲醚],降低了标记物伪造的概率。对邻甲酚酞合成反应的量子化学计算表明,整个反应的特征是焓和吉布斯自由能的微小正变化,第二步和第三步的吉布斯能量发生负变化。计算了过渡态的最优结构。

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