AFM and DFT study of diverse self-organization pattern of aminothiacalix[4]arene

IF 1.6 4区化学 Q2 Agricultural and Biological Sciences

Journal of Inclusion Phenomena and Macrocyclic Chemistry Pub Date : 2025-02-19 DOI:10.1007/s10847-025-01285-1

Sergey A. Karalash, Anna A. Botnar, Aleksandr S. Aglikov, Ekaterina A. Muraveva, Dmitry A. Kozodaev, Alexander S. Novikov, Ekaterina V. Skorb, Anton A. Muravev

{"title":"AFM and DFT study of diverse self-organization pattern of aminothiacalix[4]arene","authors":"Sergey A. Karalash, Anna A. Botnar, Aleksandr S. Aglikov, Ekaterina A. Muraveva, Dmitry A. Kozodaev, Alexander S. Novikov, Ekaterina V. Skorb, Anton A. Muravev","doi":"10.1007/s10847-025-01285-1","DOIUrl":null,"url":null,"abstract":"<div><p>Here we report on the diverse self-assembly behavior of aminothiacalix[4]arene (ATCA) drop-casted or spin-coated onto a silicon substrate. The nanofilms of ATCA feature the picket-fence domains composed of rod-shaped crystals with the mean size of ca. 700 nm, as well as the ornate patterns composed of interdigitating 3.5-µm grooves and periodically alternating ridge-like framework, with the ridge diameter 90 ± 20 nm and ridge spacing of ca. 3.5 μm. DFT calculation of possible ATCA dimers revealed a favorable arrangement of ATCA monomers either in a face parallel fashion expanding into the 1D channel structure or in a face antiparallel fashion affording the 1D zigzag chain structure. UV/Vis spectroscopy and powder X-ray diffraction data provided further evidence to the existence of thermodynamically favorable π-stacked and hydrogen-bonded ATCA associates in solution and solid state.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":638,"journal":{"name":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","volume":"105 3-4","pages":"133 - 140"},"PeriodicalIF":1.6000,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Inclusion Phenomena and Macrocyclic Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s10847-025-01285-1","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"Agricultural and Biological Sciences","Score":null,"Total":0}

引用次数: 0

Abstract

Here we report on the diverse self-assembly behavior of aminothiacalix[4]arene (ATCA) drop-casted or spin-coated onto a silicon substrate. The nanofilms of ATCA feature the picket-fence domains composed of rod-shaped crystals with the mean size of ca. 700 nm, as well as the ornate patterns composed of interdigitating 3.5-µm grooves and periodically alternating ridge-like framework, with the ridge diameter 90 ± 20 nm and ridge spacing of ca. 3.5 μm. DFT calculation of possible ATCA dimers revealed a favorable arrangement of ATCA monomers either in a face parallel fashion expanding into the 1D channel structure or in a face antiparallel fashion affording the 1D zigzag chain structure. UV/Vis spectroscopy and powder X-ray diffraction data provided further evidence to the existence of thermodynamically favorable π-stacked and hydrogen-bonded ATCA associates in solution and solid state.

Graphical Abstract

Abstract Image

查看原文本刊更多论文

氨基噻吩芳烃不同自组织模式的AFM和DFT研究

在这里，我们报道了氨基噻吩基[4]芳烃（ATCA）滴铸或自旋涂覆在硅衬底上的各种自组装行为。ATCA纳米膜具有平均尺寸约为700 nm的棒状晶体组成的尖桩栅栏结构，以及由3.5µm的交错凹槽和周期性交替的脊状框架组成的华丽图案，脊直径为90±20 nm，脊间距约为3.5 μm。对可能的ATCA二聚体的DFT计算表明，ATCA单体的有利排列方式要么是面平行的，要么是面反平行的，形成一维之字形链结构。紫外/可见光谱和粉末x射线衍射数据进一步证明了溶液和固体中存在热力学有利的π堆叠和氢键ATCA缔合物。图形抽象

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Journal of Inclusion Phenomena and Macrocyclic Chemistry 化学-化学综合

CiteScore

3.30

自引率

8.70%

发文量

审稿时长

3-8 weeks

期刊介绍： The Journal of Inclusion Phenomena and Macrocyclic Chemistry is the premier interdisciplinary publication reporting on original research into all aspects of host-guest systems. Examples of specific areas of interest are: the preparation and characterization of new hosts and new host-guest systems, especially those involving macrocyclic ligands; crystallographic, spectroscopic, thermodynamic and theoretical studies; applications in chromatography and inclusion polymerization; enzyme modelling; molecular recognition and catalysis by inclusion compounds; intercalates in biological and non-biological systems, cyclodextrin complexes and their applications in the agriculture, flavoring, food and pharmaceutical industries; synthesis, characterization and applications of zeolites. The journal publishes primarily reports of original research and preliminary communications, provided the latter represent a significant advance in the understanding of inclusion science. Critical reviews dealing with recent advances in the field are a periodic feature of the journal.