Synthesis, characterization, investigation of mesomorphic properties and DFT studies of a new 2,5-(dimethoxy)-2-[[(4-(dodecyloxy)phenyl)imino]methyl]benzene): a material liquid crystal for optoelectronics
Yazarlar (3)
Hülya Elmalı Gülbaş Uşak Üniversitesi, Türkiye
Prof. Dr. Emine TANIŞ Kırşehir Ahi Evran Üniversitesi, Türkiye
Ali Antepli Usak University
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
Dergi ISSN 0957-4522 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce Basım Tarihi 08-2020
Kabul Tarihi 12-04-2026 Yayınlanma Tarihi
Cilt / Sayı / Sayfa 31 / 18 / 15829–15842 DOI 10.1007/s10854-020-04145-5
Makale Linki http://link.springer.com/10.1007/s10854-020-04145-5
Özet
In this article, synthesis, characterization and mesomorphic properties of a new calamitic liquid crystal, 2,5-(dimethoxy)-2-[[(4-(dodecyloxy)phenyl)imino]methyl]benzene) (DDPIMB) are described. The phase transition temperatures of the DDPIMB mesomorphic compound have been carried out by differential scanning calorimetry and optical polarizing microscopy. Geometry optimization calculations have been made for the two possible isomers as cis and trans of DDPIMB using the DFT/B3LYP/6-311++G(d,p) level of theory. According to the theoretical calculation results, trans isomerism was found more stable than cis isomerism. Therefore, all theoretical calculations were made for the trans-isomer and compared to the observed results. Vibrational assignments of the observed infrared spectra of title compound were carried out based on the calculated potential energy distributions (PEDs). The electronic properties …
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