摘要：3,3'-[(E)-ethene-1,2-diyl]di(9-hexyl-9H-carbazole] compound was synthesized in three steps beginning from 9Hcarbazole and its structure was characterized via spectroscopic techniques. Its crystal structure was solved in monoclinic space group P21/c and geometrical properties were compared with data obtained from PM7 and DFT/B3LYP theoretical calculations. High correlation between DFT computational and X-ray diffraction experimental results has been determined. Intermolecular associations in crystal structure have been attempted to be explained using the calculated frontier orbitals.
其他摘要：3,3'-[(E)-eten-1,2-diil]di(9-heksil-9H-karbazol) bileşiği 9H-karbazoldan çıkarak üç basamakta sentezlenmiş ve yapısı spektroskopik yöntemlerle aydınlatılmıştır. Kristal yapısı monoklinik uzay grubu P21/c'de çözülmüş ve geometrik özellikleri yarı-deneysel
关键词：1;2-dicarbazolylethene;crystal structure;DFT and PM7 computations
其他关键词：1;2-dikarbazolileten;kristal yapı;DFT ve PM7 hesaplamaları
