Synthesis and properties of hydroxy tail-terminated cyanobiphenyl liquid crystals
Synthesis and properties of hydroxy tail-terminated cyanobiphenyl liquid crystals
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DOI：
10.1080/02678292.2018.1502373
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发表时间：
2018-07
期刊：
影响因子：
2.2
通讯作者：
Kunlun Wang;M. Jirka;Prabin Rai;R. Twieg;Tibor Szilvási;Huaizhe Yu;N. Abbott;M. Mavrikakis
中科院分区：
文献类型：
--
作者：
Kunlun Wang;M. Jirka;Prabin Rai;R. Twieg;Tibor Szilvási;Huaizhe Yu;N. Abbott;M. Mavrikakis
本文报道了两个系列的新型端羟基氰基联苯类化合物。合成了4′-ω-羟基炔基-4-氰基联苯类化合物（1a-1g）。通过还原乙炔得到的ω-羟烷基-4-氰基联苯化合物（2a-2g）。这些ω-羟基炔基和ω-羟基烷基氰基联苯化合物中的许多表现出双晶型中间相，并且它们还用作合成其他感兴趣的材料的前体。利用密度泛函理论，我们计算了所有相关的ω-羟基炔基和ω-羟基烷基氰基联苯化合物的偶极矩，并发现计算的偶极矩与测量的晶体到非晶或各向同性液体的转变温度之间的相关性。图形摘要
ABSTRACT Two series of new hydroxy tail-terminated cyanobiphenyl compounds are described. The 4′-ω-hydroxyalkynyl-4-cyanobiphenyl compounds (1a–1g) were synthesised as the key intermediates to the 4′-?ω-hydroxyalkyl-4-cyanobiphenyl compounds (2a–2g) obtained upon reduction of the acetylenes. Many of these ω-hydroxyalkynyl and ω-hydroxyalkyl cyanobiphenyl compounds exhibit nematic mesophases and they also serve as precursors for the synthesis of other interesting materials. Using density functional theory, we calculate the dipole moment of all relevant ω-hydroxyalkynyl and ω-hydroxyalkyl cyanobiphenyl compounds and find a correlation between the calculated dipole moments and measured crystalline to nematic or isotropic liquid transition temperatures. GRAPHICAL ABSTRACT