TY - JOUR
T1 - One Step Further
T2 - A Flexible Metal-Organic Framework that Functions as a Dual-Purpose Water Vapor Sorbent
AU - Shabangu, Samuel M.
AU - Bezrukov, Andrey A.
AU - Eaby, Alan C.
AU - Nikkhah, Sousa Javan
AU - Darwish, Shaza
AU - Nikolayenko, Varvara I.
AU - Sensharma, Debobroto
AU - Wang, Shi Qiang
AU - Vandichel, Matthias
AU - Zaworotko, Michael J.
N1 - Publisher Copyright:
© 2025 The Authors. Published by American Chemical Society.
PY - 2025/2/3
Y1 - 2025/2/3
N2 - 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.
AB - 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.
UR - https://www.scopus.com/pages/publications/85216921771
U2 - 10.1021/acsmaterialslett.4c02019
DO - 10.1021/acsmaterialslett.4c02019
M3 - Article
AN - SCOPUS:85216921771
SN - 2639-4979
VL - 7
SP - 433
EP - 441
JO - ACS Materials Letters
JF - ACS Materials Letters
IS - 2
ER -
