摘要
文中分别以2,2'-二(三氟甲基)二氨基联苯(TFMB)和2,2'-双(三氟甲基)-4,4'-二氨基苯基醚(TFODA)与六氟二酐(6FDA)反应制备了2种聚酰亚胺PI-TF-6F和PI-TOF-6F薄膜,采用核磁和红外确认了其结构,研究了其颜色透明性和介电性能。结果表明,PI-TF-6F和PI-TOF-6F薄膜的截止波长分别为371 nm和390 nm,在450 nm的透过率分别为78.1%和77.9%;在1 kHz的介电常数分别为2.92和3.01,介电损耗均低于0.01。同时,基于密度泛函理论(DFT)和分子动力学理论(MD)对其光学吸收能量和介电常数进行了模拟预测,PI-TF-6F和PI-TOF-6F重复单元的垂直激发能量分别为3.53 eV(351 nm)和3.33 eV(372 nm),极化率分别为479.9和484.4,相对介电常数分别为3.19和3.21。模拟结果为进一步设计制备无色透明和低介电常数聚酰亚胺提供了参考。
Two kinds of polyimide PI-TF-6F and PI-TOF-6F films were prepared by the reaction of 2,2'-di(trifluoromethyl)diaminobiphenyl(TFMB)and 2,2'-bis(trifluoromethyl)-4,4'-diaminophenyl ether(TFODA)with hexafluorodianhydride(6FDA),respectively.Their structures were confirmed by nuclear magnetic resonance spectroscopy(NMR)and infrared spectroscopy(IR).The color transparency and dielectric properties were studied.The results show that the cutoff wavelength of PI-TF-6F and PI-TOF-6F films is 371 nm and 390 nm,and the transmittance at 450 nm is 78.1%and 77.9%,the dielectric constant is 2.92 and 3.01 at 1 kHz with the dielectric loss lower than 0.01,respectively.Then,the optical absorption energy and dielectric constant were simulated and predicted based on density functional theory(DFT)and molecular dynamics theory(MD).The vertical excitation energy of PI-TF-6F and PI-TOF-6F units is 3.53 eV(351 nm)and 3.33 eV(372 nm),the polarizability is 479.9 and 484.4,and the relative dielectric constant is 3.19 and 3.21,respectively.These simulation results provide a reference for the further design and preparation of polyimide with colorless,transparent and low dielectric constant.
作者
蒲玉婕
张景洪
杨馥瑜
田泉池
瞿伦君
Yujie Pu;Jinghong Zhang;Fuyu Yang;Quanchi Tian;Lunjun Qu(College of Materials Science and Engineering,Chongqing University of Technology,Chongqing 400054,China)
出处
《高分子材料科学与工程》
北大核心
2025年第6期16-24,共9页
Polymer Materials Science & Engineering
基金
国家自然科学基金资助项目(52003032)
重庆市教育委员会科学技术研究计划青年项目(KJQN202401113)
重庆理工大学研究生创新项目(gzlcx20233009)。
关键词
聚酰亚胺
理论模拟
无色透明
介电常数
电荷转移
polyimide
theoretical simulation
colorless transparence
dielectric constant
charge transfer
