对位四联苯及其三甲基硅衍生物的晶体。I:从溶液中生长、结构以及利用赫氏表面法进行晶体化学分析

IF 0.6 4区 材料科学 Q4 CRYSTALLOGRAPHY Crystallography Reports Pub Date : 2024-11-14 DOI:10.1134/S1063774524601886
V. A. Postnikov, N. I. Sorokina, M. S. Lyasnikova, G. A. Yurasik, A. A. Kulishov, T. A. Sorokin, O. V. Borshchev, E. A. Svidchenko, N. M. Surin
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摘要

本文介绍了对位四联苯(4P)及其衍生物-4,4'''-双(三甲基硅基)-对位四联苯(TMS-4P-TMS)晶体从溶液中生长的研究结果。研究发现,与 4Р 相比,TMS-4P-TMS 晶体具有更好的生长特性。利用差示扫描量热法完善了 4P 和 TMS-4P-TMS 在封闭坩埚中的相变参数。利用单晶 X 射线衍射法首次解密了三linic 空间群 P\(\bar {1}\) (Z = 2) 中的 TMS-4P-TMS 晶体结构,并在很宽的温度范围内进行了研究。利用希尔斯菲尔德表面法对所研究化合物的晶体进行了结晶分析,并建立了分子间相互作用的模型。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Crystals of para-Quaterphenyl and Its Trimethylsilyl Derivative. I: Growth from Solutions, Structure, and Crystal Chemical Analysis by the Hirschfeld Surface Method

The results of studying the growth of para-quaterphenyl (4P) and its derivative—4,4'''-bis(trimethylsilyl)-para-quaterphenyl (TMS-4P-TMS)—crystals from solutions are presented. It has been established that TMS-4P-TMS crystals exhibit better growth characteristics as compared to 4Р. Parameters of the phase transitions of 4P and TMS-4P-TMS in closed crucibles were refined using differential scanning calorimetry. The crystal structure of TMS-4P-TMS in the triclinic space group P\(\bar {1}\) (Z = 2) has been decrypted for the first time using single-crystal X-ray diffraction and was studied in a wide temperature range. A crystallographic analysis of the studied compounds in crystals was performed using the Hirshfeld surface method, and modeling of intermolecular interactions was performed.

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来源期刊
Crystallography Reports
Crystallography Reports 化学-晶体学
CiteScore
1.10
自引率
28.60%
发文量
96
审稿时长
4-8 weeks
期刊介绍: Crystallography Reports is a journal that publishes original articles short communications, and reviews on various aspects of crystallography: diffraction and scattering of X-rays, electrons, and neutrons, determination of crystal structure of inorganic and organic substances, including proteins and other biological substances; UV-VIS and IR spectroscopy; growth, imperfect structure and physical properties of crystals; thin films, liquid crystals, nanomaterials, partially disordered systems, and the methods of studies.
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