Molecular Crystals and Liquid Crystals ( IF 0.7 ) Pub Date : 2021-08-24 , DOI: 10.1080/15421406.2020.1862467 Eigirdas Skuodis 1 , Tomas Janeliunas 1 , Rokas Zubrevicius 1 , Tadas Zutautas 1 , Dalius Gudeika 1
Abstract
The synthesis and properties of N-(4-(tert-butyl)phenyl)-2′-(1-(4-(tert-butyl)phenyl)-1H-phenanthro[9,10-d]imidazol-2-yl)-N-(2-ethylhexyl)-[1,1′-biphenyl]-2-carboxamide were described. The practical characteristics of derivative were investigated by thermal, electrochemical and photophysical measurements and the data were compared with the theoretical values calculated by density functional theory. Compound exhibited high thermal stability with 5% weight loss temperature of 370 °C. Ionization potential value of compound estimated by cyclic voltammetry was found to be 5.48 eV. The high triplet energy (2.82 eV) and high electron affinity values (3.14 eV) of derivative were also observed.
中文翻译:
菲咪唑基衍生物的制备与研究
摘要
N- (4-(叔丁基)苯基)-2'-(1-(4-(叔丁基)苯基) -1H-菲并[9,10-d]咪唑-2-的合成及性质基) -N- (2-乙基己基)-[1,1'-联苯]-2-甲酰胺被描述。通过热、电化学和光物理测量研究了衍生物的实际特性,并将数据与密度泛函理论计算的理论值进行了比较。复合物表现出高热稳定性,5% 的失重温度为 370 °C。发现通过循环伏安法估计的化合物的电离电位值为 5.48 eV。还观察到衍生物的高三线态能量 (2.82 eV) 和高电子亲和力值 (3.14 eV)。