Structural Flexibilities and Gas Adsorption Properties of One-Dimensional Copper(II) Polymers with Paddle-Wheel Units by Modification of Benzoate Ligands

Kiyonori Takahashi, Norihisa Hoshino, Takashi Takeda, Shin Ichiro Noro, Takayoshi Nakamura, Sadamu Takeda, Tomoyuki Akutagawa

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    22 Citations (Scopus)

    Abstract

    CO2 and N2 gas adsorption/desorption properties of one-dimensional copper(II) polymers with paddle-wheel units [CuII2(p-XBA)4(pyrazine)] were successfully controlled through the tuning of interchain interactions by modification of para-substituent X groups on the benzoate (BA) ligands (X = Cl, Br, I, and OCH3). Although none of the four crystals had sufficient void space to integrate the crystallization solvents, gate-opening gas adsorption and desorption behaviors coupled with structural phase transitions were observed for CO2 (T = 195 K) and N2 (T = 77 K), with differences depending on the precise substituent. van der Waals interchain interactions, specifically π···π, halogen···π, and C-H···π contacts, were dominant in forming the crystal lattice; their magnitude was associated with gate-opening pressure and hysteresis behaviors. Both the type and magnitude of the interactions were evaluated by Hirshfeld surface analysis, which indicated that structural flexibility decreased as larger halogen atoms were included. Overall, weak interchain interaction and structural flexibility generated new void spaces to adsorb CO2 and N2 gases.

    Original languageEnglish
    Pages (from-to)9423-9431
    Number of pages9
    JournalInorganic chemistry
    Volume54
    Issue number19
    DOIs
    Publication statusPublished - 2015 Sep 18

    ASJC Scopus subject areas

    • Physical and Theoretical Chemistry
    • Inorganic Chemistry

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