One Step Further: A Flexible Metal-Organic Framework that Functions as a Dual-Purpose Water Vapor Sorbent.

IF 8.6 1区化学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY ACS Materials Letters Pub Date : 2025-01-02 eCollection Date: 2025-02-03 DOI:10.1021/acsmaterialslett.4c02019

Samuel M Shabangu, Andrey A Bezrukov, Alan C Eaby, Sousa Javan Nikkhah, Shaza Darwish, Varvara I Nikolayenko, Debobroto Sensharma, Shi-Qiang Wang, Matthias Vandichel, Michael J Zaworotko

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Abstract

We report a water induced phase transformation in a flexible MOF, [Zn₃(OH)₂(btca)₂] (Hbtca = 1H-benzotriazole-5-carboxylic acid), that exhibits a two-step water vapor sorption isotherm associated with water-induced phase transformations. Variable temperature X-ray diffraction studies revealed that the dehydrated phase, LP-β, is almost isostructural with the previously reported solvated phase, LP-α. LP-β reversibly transformed to a partially hydrated phase, NP, at 5% RH, and a fully hydrated phase, LP-γ, at 47% RH. Structural studies reveal that host-guest and guest-guest interactions are involved in the NP, LP-α, and LP-γ phases. The LP-β phase, however, is atypical; molecular modeling studies indicating that it is indeed energetically favorable as a LP structure. To our knowledge, [Zn₃(OH)₂(btca)₂] is only the second sorbent that exhibits water induced LP-NP-LP transformations (after MIL-53) and represents the first regeneration optimized sorbent (ROS) with two steps at RH ranges relevant for both atmospheric water harvesting and dehumidification.

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更进一步：一种灵活的金属有机框架，可作为双重用途的水蒸气吸附剂。

我们报道了在柔性MOF [Zn3(OH)2(btca)2] （Hbtca = 1h -苯并三唑-5-羧酸）中水诱导的相变，该相变表现出与水诱导相变相关的两步水蒸气吸附等温线。变温x射线衍射研究表明，脱水相LP-β与先前报道的溶剂化相LP-α几乎是同构的。LP-β可逆地在5% RH下转化为部分水合相NP，在47% RH下转化为完全水合相LP-γ。结构研究表明，主-客和客-客相互作用涉及NP、LP-α和LP-γ相。然而，LP-β期是不典型的；分子模型研究表明，它确实是一个能量有利的LP结构。据我们所知，[Zn3(OH)2(btca)2]是继MIL-53之后第二个表现出水诱导的LP-NP-LP转化的吸附剂，并且代表了第一个再生优化的吸附剂（ROS），在与大气集水和除湿相关的RH范围内具有两步。

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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来源期刊

ACS Materials Letters MATERIALS SCIENCE, MULTIDISCIPLINARY-

CiteScore

14.60

自引率

3.50%

发文量

261

期刊介绍： ACS Materials Letters is a journal that publishes high-quality and urgent papers at the forefront of fundamental and applied research in the field of materials science. It aims to bridge the gap between materials and other disciplines such as chemistry, engineering, and biology. The journal encourages multidisciplinary and innovative research that addresses global challenges. Papers submitted to ACS Materials Letters should clearly demonstrate the need for rapid disclosure of key results. The journal is interested in various areas including the design, synthesis, characterization, and evaluation of emerging materials, understanding the relationships between structure, property, and performance, as well as developing materials for applications in energy, environment, biomedical, electronics, and catalysis. The journal has a 2-year impact factor of 11.4 and is dedicated to publishing transformative materials research with fast processing times. The editors and staff of ACS Materials Letters actively participate in major scientific conferences and engage closely with readers and authors. The journal also maintains an active presence on social media to provide authors with greater visibility.