Curing temperature assessment method of the organic material using conformer cluster analysis principle

摘要

The evaluation method of curing temperature of organic materials using the conformer cluster analysis principle, which can confirm the change of curing temperature according to the position of the curing device and the structure change of OLED with only the structural information of the organic light emitting diode (OLED) without the experiment being excluded. Is initiated. The method for evaluating the curing temperature of an organic material using the conformer cluster analysis principle may include (a) generating a chemical structure of an organic light emitting diode to be analyzed, and then using quantum mechanics, which is the most energy stable structure. Creating a structure; (b) rotating a plurality of torsion points in the generated reference structure to generate a plurality of conformers; (c) using molecular mechanics to obtain the most energetically stable structure of the resulting conformal isomers; (d) measuring the root mean square distance between the reference structure and the isomer by designating a functional group to attach the curing group, and then performing clustering on the basis of clustering step; And (e) dividing the total number of groups classified by the clustering by the number of conformational isomers, and making a parameter to analyze the tendency of the curing temperature.