2015年2月
Effects of the lateral substituent on the cubic phase formation of two analogous compounds, 4ʹ-n-hexadecyloxy-3ʹ-cyanobiphenyl-4-carboxylic acid (ACBC-16) and its 3ʹ-nitro compound (ANBC-16)
Liquid Crystals
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- 巻
- 42
- 号
- 2
- 開始ページ
- 143
- 終了ページ
- 157
- 記述言語
- 英語
- 掲載種別
- DOI
- 10.1080/02678292.2014.969342
© 2014, Taylor & Francis. Two cubic (Cub) phase forming compounds, 4ʹ-n-hexadecyloxy-3ʹ-cyanobiphenyl-4-carboxylic acid (ACBC-16) and its 3′-nitro analogue (ANBC-16) were studied by infrared (IR) spectroscopy. In the temperature region of the Cub phase, the molar fraction of hydrogen-bonded COOH groups estimated for ACBC-16 was by ≈0.05 at maximum larger than that for ANBC-16 and the aromatic ring C═C stretching (ν(C═C)ring) band frequency of ACBC-16 was by 3 cm−1 lower than that of ANBC-16. The quantum chemical calculation at DFT/B3LYP level, on the one hand, showed no meaningful difference in the stabilisation energy for dimerisation and the ν(C═C)ring band frequency between the respective model compounds. These results can be ascribed to the different steric effects of the side groups; the CN group would make possible the close contact of neighbouring phenyl rings while the bulky NO2 group would not, giving slightly more stabilised dimerisation of ACBC-16 in the Cub phase than in ANBC-16.
- リンク情報
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- DOI
- https://doi.org/10.1080/02678292.2014.969342
- Web of Science
- https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000349296800002&DestApp=WOS_CPL
- URL
- http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84923405463&origin=inward
- ID情報
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- DOI : 10.1080/02678292.2014.969342
- ISSN : 0267-8292
- eISSN : 1366-5855
- Web of Science ID : WOS:000349296800002