Coumarin derivatives containing schiff base and ester mesogenic core: Synthesis, mesomorphic behaviour and DFT calculations

被引：16

作者：

Katariya, Kanubhai D. ^{[1
]}

Soni, Rina ^{[1
]}

Nakum, Kiran J. ^{[1
]}

Soman, Shubhangi S. ^{[1
]}

Hagaar, Mohamed ^{[2
]}

机构：

[1] Maharaja Sayajirao Univ Baroda, Fac Sci, Dept Chem, Vadodara 390002, Gujarat, India

[2] Alexandria Univ, Fac Sci, Chem Dept, Alexandria, Egypt

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2022年 / 1262卷

关键词：

Liquid crystals; Coumarin imine-ester linkage; Nematic (N) phase; Smectic C (SmC) phase; DFT calculations; DIMERIC LIQUID-CRYSTALS; MESOPHASE BEHAVIOR; STABILITY; PROPERTY; PHASE;

D O I：

10.1016/j.molstruc.2022.133043

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

New coumarin esters, (E)-4-(((7-(octyloxy)-2-oxo-2H-chromen-3-yl)imino)methyl)phenyl-4-alkyloxy benzoate, CE-(2-18) containing Schiff base linkage in which octyloxy chain at one end and different long terminal alkoxy chains (C2-C18) at the other end have been synthesized and studied for their mesomor-phic behaviour. New compounds were characterized using different analytical techniques such as FT-IR, 1 H NMR, 13 C NMR, and Mass spectral analysis. The transitions of phase and mesophase investigation were carried out using differential scanning calorimetry and Polarised Optical Microscope. The mesomor-phic investigation revealed that all new derivatives CE-(2-14) exhibited an enantiotropic nematic phase whereas except CE-2 and CE-3 all other members have also displayed enantiotropic smectic C phase in addition to enantiotropic nematic phase. The new mesogens mesomorphic behaviour of all synthesized compounds were thoroughly studied and discussed, as well as compared with structurally comparable substances. Finally, the DFT theoretical calculations were studied and compared with the experimental to explain the relationship between the structural parameters and the mesomorphic behaviour.(c) 2022 Elsevier B.V. All rights reserved.

引用

页数：12

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