IDEAS home Printed from https://ideas.repec.org/a/nat/natcom/v16y2025i1d10.1038_s41467-025-56750-9.html
   My bibliography  Save this article

Guest-induced structural transformation of single-crystal 3D covalent organic framework at room and high temperatures

Author

Listed:
  • Aiping Yao

    (Northeast Normal University)

  • Hongliang Xu

    (Northeast Normal University)

  • Kuizhan Shao

    (Northeast Normal University)

  • Chunyi Sun

    (Northeast Normal University)

  • Chao Qin

    (Northeast Normal University)

  • Xinlong Wang

    (Northeast Normal University)

  • Zhongmin Su

    (Hainan University)

Abstract

Soft porous crystals, recognized as the third generation of smart porous materials, can undergo structural deformations in response to external stimuli, such as temperature, pressure, and guest molecules. Currently, the dynamic phase transformations of soft porous crystals are predominantly determined through quantitative modeling based on gas adsorption and powder X-ray diffraction. Herein, we investigate the single-crystal-to-single-crystal structural transformation of covalent organic soft porous crystal modeled on COF-300 and identified nine distinct conformational isomers induced by different guest molecules at room and high temperatures. Notably, COF-300 can maintain its single-crystal structure even at 280 °C and efficiently absorbs polycyclic aromatic hydrocarbons in their molten state. The kinetics of structural transformations among conformational isomers are investigated by combining PXRD and theoretical calculations. The structural transformation from a high-energy state to a low-energy state is a rapid, energetically favorable process, while the reverse transformation is a slow process driven by concentration gradients.

Suggested Citation

  • Aiping Yao & Hongliang Xu & Kuizhan Shao & Chunyi Sun & Chao Qin & Xinlong Wang & Zhongmin Su, 2025. "Guest-induced structural transformation of single-crystal 3D covalent organic framework at room and high temperatures," Nature Communications, Nature, vol. 16(1), pages 1-7, December.
    • Handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-56750-9
    DOI: 10.1038/s41467-025-56750-9
    as

    Download full text from publisher

    File URL: https://www.nature.com/articles/s41467-025-56750-9
    File Function: Abstract
    Download Restriction: no
    File URL: https://libkey.io/10.1038/s41467-025-56750-9?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    References listed on IDEAS

    as
    1. L. Vanduyfhuys & S. M. J. Rogge & J. Wieme & S. Vandenbrande & G. Maurin & M. Waroquier & V. Van Speybroeck, 2018. "Thermodynamic insight into stimuli-responsive behaviour of soft porous crystals," Nature Communications, Nature, vol. 9(1), pages 1-9, December.
    2. Sven M. J. Rogge & Michel Waroquier & Veronique Van Speybroeck, 2019. "Unraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystals," Nature Communications, Nature, vol. 10(1), pages 1-10, December.
    Full references (including those not matched with items on IDEAS)

    Most related items

    These are the items that most often cite the same works as this one and are cited by the same works as this one.
    1. Yifan Gu & Jia-Jia Zheng & Ken-ichi Otake & Shigeyoshi Sakaki & Hirotaka Ashitani & Yoshiki Kubota & Shogo Kawaguchi & Ming-Shui Yao & Ping Wang & Ying Wang & Fengting Li & Susumu Kitagawa, 2023. "Soft corrugated channel with synergistic exclusive discrimination gating for CO2 recognition in gas mixture," Nature Communications, Nature, vol. 14(1), pages 1-12, December.
    2. Jin-Peng Xue & Yang Hu & Bo Zhao & Zhi-Kun Liu & Jing Xie & Zi-Shuo Yao & Jun Tao, 2022. "A spin-crossover framework endowed with pore-adjustable behavior by slow structural dynamics," Nature Communications, Nature, vol. 13(1), pages 1-10, December.
    3. Rama Oktavian & Ruben Goeminne & Lawson T. Glasby & Ping Song & Racheal Huynh & Omid Taheri Qazvini & Omid Ghaffari-Nik & Nima Masoumifard & Joan L. Cordiner & Pierre Hovington & Veronique Speybroeck , 2024. "Gas adsorption and framework flexibility of CALF-20 explored via experiments and simulations," Nature Communications, Nature, vol. 15(1), pages 1-10, December.

    More about this item

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-56750-9. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    If CitEc recognized a bibliographic reference but did not link an item in RePEc to it, you can help with this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.nature.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.