Direct evidence for the effect of lateral hydrogen bonding on the smectic phase

被引：15

作者：

Wang, Haitao ^{[1
,2
]}

Bai, Binglian ^{[3
]}

Bai, Fu-Quan ^{[1
]}

Pang, Dongmei ^{[2
]}

Ran, Xia ^{[2
]}

Zhao, Chengxiao ^{[2
]}

Zhang, Hong-Xing ^{[1
]}

Li, Min ^{[2
]}

机构：

[1] Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, Changchun, Peoples R China

[2] Jilin Univ, Key Lab Automobile Mat MOE, Changchun 130023, Peoples R China

[3] Jilin Univ, Coll Phys, Changchun 130023, Peoples R China

来源：

LIQUID CRYSTALS | 2011年 / 38卷 / 06期

基金：

美国国家科学基金会;

关键词：

lateral hydrogen bonding; smectic phase; hydrazide derivatives; liquid crystals; LIQUID-CRYSTAL DIMERS; SUPRA-MOLECULAR STRUCTURES; DERIVATIVES; GELATORS; AMIDES;

D O I：

10.1080/02678292.2011.573586

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

In order to reduce the number of hydrogen bonds in biamide derivatives, one amide group in N-(4-cetyloxybenzoyl)-N'-(4'-nitrobenzoyl) hydrazine (C16-NO2) was replaced by a Schiff base group, forming N-(4-cetyloxybenzoyl)-N'-(4'-nitrobenzylidene) hydrazine (C16-Sch). Computational study on the molecular structure at B3LYP/6-311+G** level revealed that the molecular geometry of C16-NO2 could be well retained by C16-Sch. In addition, C16-Sch exhibited the same mesophase structure (SmA(1)) as C16-NO2, and the hydrogen bonding was demonstrated to be still interacting in the mesophase. However, compared to C16-NO2, the mesophase stability of C16-Sch is dramatically decreased by the reduction of the number of hydrogen bonds, providing direct evidence that intermolecular hydrogen bonding plays an important role in stabilising the smectic phase.

引用

页码：767 / 774

页数：8

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