Functional Groups Assisted Tunable Dielectric Permittivity of Guest‐Free Zn‐Based Coordination Polymers for Gate Dielectrics. Issue 30 (13th April 2022)

• Record Type: Journal Article
• Authors: Kamal, Saqib; Inamdar, Arif I.; Chiou, Kuan‐Ru; Sainbileg, Batjargal; Usman, Muhammad; Chen, Jenq‐Wei; Luo, Tzuoo‐Tsair; Hayashi, Michitoshi; Hung, Chen‐Hsiung; Liaw, Wen‐Feng; Lu, Kuang‐Lieh
• Is Part Of: Chemistry. Volume 28:Issue 30(2022)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2022-04-13
• Subjects: coordination polymers -- dielectric -- high κ -- structure -- tuning; Chemistry -- Periodicals; 540
• DOI: 10.1002/chem.202103905
• Languages: English
• ISSNs: 0947-6539

Abstract

Abstract: The dielectric properties of coordination polymers has been a topic of recent interest, but the role of different functional groups on the dielectric properties of these polymers has not yet been fully addressed. Herein, the effects of electron‐donating (R=NH2 ) and electron‐withdrawing (R=NO2 ) groups on the dielectric behavior of such materials were investigated for two thermally stable and guest‐free Zn‐based coordination polymers, [Zn(L1 )(L2 )]n (1 ) and [Zn(L1 )(L3 )]n (2 ) [L1 =2‐(2‐pyridyl) benzimidazole (Pbim), L2 =5‐aminoisophthalate (Aip), and L3 =5‐nitroisophthalate (Nip)]. The results of dielectric studies of 1 revealed that it possesses a high dielectric constant (κ=65.5 at 1 kHz), while compound 2 displayed an even higher dielectric constant (κ=110.3 at 1 kHz). The electron donating and withdrawing effects of the NH2 and NO2 substituents induce changes in the polarity of the polymers, which is due to the inductive effect from the aryl ring for both NO2 and NH2 . Theoretical results from density functional theory (DFT) calculations, which also support the experimental findings, show that both compounds have a distinct electronic behavior with diverse wide bandgaps. The significance of the current work is to provide information about the structure‐dielectric property relationships. So, this study promises to pave the way for further research on the effects of different functional groups on coordination polymers on their dielectric properties. Abstract : The dielectric tuning of two Zn‐based coordination polymers via the tuning of the electron‐donating (R=NH2 ) and electron‐withdrawing (R=NO2 ) groups is reported. The tunable high dielectric properties, wide bandgaps and thermal stability of these CPs clearly demonstrate their potential for use in the design of future gate dielectric materials.