A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K⁺·C₅H₄N₅O^-·H₂O.

IF 1.3 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Acta crystallographica Section B, Structural science, crystal engineering and materials Pub Date : 2023-12-01 Epub Date: 2023-11-02 DOI:10.1107/S2052520623008740

Anna A Gaydamaka, Sergey V Rashchenko, Anna I Semerikova, Ekaterina S Smirnova, Anna G Ivanova, Sergey G Arkhipov, Boris A Zakharov, Nikita E Bogdanov, Elena V Boldyreva

{"title":"A high-pressure single-crystal X-ray diffraction study of potassium guaninate hydrate, K+·C5H4N5O-·H2O.","authors":"Anna A Gaydamaka, Sergey V Rashchenko, Anna I Semerikova, Ekaterina S Smirnova, Anna G Ivanova, Sergey G Arkhipov, Boris A Zakharov, Nikita E Bogdanov, Elena V Boldyreva","doi":"10.1107/S2052520623008740","DOIUrl":null,"url":null,"abstract":"The crystal structure of potassium guaninate hydrate, K+·C5H4N5O-·H2O, was studied in the pressure range of 1 atm to 7.3 GPa by single-crystal diffraction using synchrotron radiation and a laboratory X-ray diffraction source. Structural strain was compared to that of the same salt hydrate on cooling, and in 2Na+·C5H3N5O2-·7H2O under hydrostatic compression and on cooling. A polymorphic transition into a new, incommensurately modulated, phase was observed at ∼4-5 GPa. The transition was reversible with a hysteresis: the satellite reflections disappeared on decompression to ∼1.4 GPa.","PeriodicalId":7320,"journal":{"name":"Acta crystallographica Section B, Structural science, crystal engineering and materials","volume":null,"pages":null},"PeriodicalIF":1.3000,"publicationDate":"2023-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta crystallographica Section B, Structural science, crystal engineering and materials","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1107/S2052520623008740","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2023/11/2 0:00:00","PubModel":"Epub","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}

引用次数: 0

Abstract

The crystal structure of potassium guaninate hydrate, K⁺·C₅H₄N₅O^-·H₂O, was studied in the pressure range of 1 atm to 7.3 GPa by single-crystal diffraction using synchrotron radiation and a laboratory X-ray diffraction source. Structural strain was compared to that of the same salt hydrate on cooling, and in 2Na⁺·C₅H₃N₅O^2-·7H₂O under hydrostatic compression and on cooling. A polymorphic transition into a new, incommensurately modulated, phase was observed at ∼4-5 GPa. The transition was reversible with a hysteresis: the satellite reflections disappeared on decompression to ∼1.4 GPa.

Abstract Image

查看原文本刊更多论文

鸟嘌呤钾水合物K+·C5H4N5O-·H2O的高压单晶X射线衍射研究。

研究了鸟嘌呤钾水合物K+·C5H4N5O-·H2O在1 atm至7.3 GPa，使用同步辐射和实验室X射线衍射源进行单晶衍射。将冷却时和2Na+·C5H3N5O2-·7H2O中静水压和冷却时的结构应变与相同盐水合物的结构应变进行了比较。在~4-5观察到多态性转变为一个新的、不完全调制的相 GPa。这种转变是可逆的，有一个滞后现象：卫星反射在减压至～1.4时消失 GPa。

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

Acta crystallographica Section B, Structural science, crystal engineering and materials CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

3.60

自引率

5.30%

发文量

期刊介绍： Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials publishes scientific articles related to the structural science of compounds and materials in the widest sense. Knowledge of the arrangements of atoms, including their temporal variations and dependencies on temperature and pressure, is often the key to understanding physical and chemical phenomena and is crucial for the design of new materials and supramolecular devices. Acta Crystallographica B is the forum for the publication of such contributions. Scientific developments based on experimental studies as well as those based on theoretical approaches, including crystal-structure prediction, structure-property relations and the use of databases of crystal structures, are published.