Anisotropic Dissociation of pi-pi Stacking and Flipping-Motion-Induced Crystal Jumping in Alkylacridones and Their Dicyanomethylene Derivatives

Takeda Takashi; Akutagawa Tomoyuki

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Anisotropic Dissociation of pi-pi Stacking and Flipping-Motion-Induced Crystal Jumping in Alkylacridones and Their Dicyanomethylene Derivatives

机译：烷基内酯及其二氰基亚甲基衍生物中π-π堆积和翻转运动诱导的晶体跳跃的各向异性解离

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摘要

Ethylacridone (1b) and dicyanomethylenated acridones 2a, b, d showed crystal-jumping activity upon heating. This is the first example of thermosalient behavior in a simple aromatic ketone and its derivatives. A systematic investigation of the jumping behavior of derivatives with different alkyl chains by variable-temperature X-ray crystal-structure analyses revealed the mechanism of this phenomenon. Anisotropic dissociation of pi stacking in a dimer was important for inducing crystal jumping in 1b, whereas the collective fluctuation/flipping motion of a dicyanomethylene unit induced crystal jumping in 2.

机译：乙rid啶酮（1b）和二氰基甲基化的cri烯2a，b，d在加热时表现出跳晶活性。这是在简单的芳族酮及其衍生物中热盐行为的第一个例子。通过可变温度X射线晶体结构分析系统研究了具有不同烷基链的衍生物的跳跃行为，揭示了这种现象的机理。 pi堆积在二聚体中的各向异性解离对于诱导1b中的晶体跃迁很重要，而二氰基亚甲基单元的集体波动/翻转运动则导致2b中的晶体跃迁。

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《Chemistry: A European journal》 |2016年第23期|共8页
作者
Takeda Takashi; Akutagawa Tomoyuki;
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正文语种 eng
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关键词
acridones; crystal growth; molecular motion; structure-activity relationships; thermosalient effects;

机译：cri啶;晶体生长;分子运动;构效关系;热敏效应;

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1. Anisotropic Dissociation of pi-pi Stacking and Flipping-Motion-Induced Crystal Jumping in Alkylacridones and Their Dicyanomethylene Derivatives [J] . Takeda Takashi, Akutagawa Tomoyuki Chemistry: A European journal . 2016,第23期

机译：烷基内酯及其二氰基亚甲基衍生物中π-π堆积和翻转运动诱导的晶体跳跃的各向异性解离
2. Hydrogen bonding and aromatic pi-pi stacking in the crystal structures of water-soluble daidzein derivatives [J] . Wang XB, Zhang ZT, Wang QY Structural Chemistry . 2005,第5期

机译：水溶性大豆苷元衍生物的晶体结构中的氢键键合和芳族pi-pi堆积
3. Hydrogen bonding and pi-pi stacking interaction in the coordination of sulfur and nitrogen donor heterocycle to organotin(IV): syntheses and crystal structures of di- and triorganotin(IV) derivatives with 1-(4-hydroxyphenyl)-1H-tetrazole-5-thioI [J] . Ma CL, Sun HF Polyhedron: The International Journal for Inorganic and Organometallic Chemistry . 2004,第9期

机译：硫和氮供体杂环与有机锡（IV）的配位中氢键和π-π堆积相互作用：带有1-（4-羟苯基）-1H-四唑-5的二有机和三有机锡（IV）衍生物的合成和晶体结构硫代
4. Anchoring properties of nematic liquid crystals on anisotropic cellulose derivative films [C] . Joao G. Fonseca, Maria H. Godinho, Antonio C. Ribeiro Proceedings of the Ninth International Display Workshops (IDW '02) . 2002

机译：各向异性纤维素衍生物薄膜上向列液晶的锚固性能
5. Anisotropic elastic moduli for crystalline hexahydro -1,3,5 -trinitro -1,3,5 -triazine from Monte Carlo calculations, and, Molecular dynamic simulations of the unimolecular dissociation of 1,3,3-trinitroazetidine [D] . Bennett, Carl Mahlon 2007

机译：结晶六氢-1,3,5-三硝基-1,3,5-三嗪的各向异性弹性模量，基于蒙特卡罗计算，以及1,3,3-三硝基氮杂环丁烷单分子解离的分子动力学模拟
6. \ud Crystal structures of five (2-chloroquinolin-3-yl)-methyl ethers: supramolecular assembly in one and two dimensions mediated by hydrogen bonding and pi-pi stacking\ud [O] . Sowmya, H. B. V., Suresha Kumara, T. H., Negendrappa, G., 2015

机译：\ ud 五（2-氯喹啉-3-基）-甲基醚的晶体结构：一维和二维超分子组装，由氢键和π-π堆积介导

Anisotropic Dissociation of pi-pi Stacking and Flipping-Motion-Induced Crystal Jumping in Alkylacridones and Their Dicyanomethylene Derivatives

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