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    • 5. 发明公开
    • 페닐아세틸렌 구조를 갖는 화합물, 액정성 조성물,중합물, 광학이방체, 광학 또는 액정소자, 디벤조티오펜화합물, 중간체, 및 그 제조법
    • 具有苯乙烯结构的化合物,液晶组合物,聚合物,光学异相产物,光学或液晶元素,二苯并噻吩化合物,其中间体及其生产方法
    • KR1020020066222A
    • 2002-08-14
    • KR1020020007512
    • 2002-02-08
    • 스미또모 가가꾸 가부시끼가이샤
    • 세끼네찌즈이시또비마사미쯔후지사와고이찌이와꾸라가즈노리미나이마사요시
    • C07C43/20
    • C09K19/3059C07D333/76C09K19/18C09K19/3491C09K19/42C09K2019/0448C09K2019/0496C09K2019/188Y10T428/10
    • PURPOSE: Provided are a compound having phenylacetylene structure, a liquid crystal composition, a polymer, an optically anisotropic product, an optical or liquid crystal element, a dibenzothiophene compound, an intermediate thereof, and a process for producing the same. CONSTITUTION: The compound is represented by the formula (1), wherein difference £Delta|E in energy of the highest occupied molecular orbital(HOMO) of parts of the formula (1) each represented by the formula (1a), (1b): P1-H or (1c): P2-H calculated by a method of molecular orbitals satisfies the following formula: £Delta|E=E1-1-(E1-2+E1-3)/2>=0.3 electronvolt(wherein E1-1, E1-2, and E1-3 denote the HOMO energy of corresponding parts represented by the formulae (1a), (1b), and (1c), respectively, of the formula (1) calculated by the method of molecular orbitals), and polarizability anisotropy £Delta|£alpha| of a molecule represented by the formula (1) calculated by said method is not lower than 500 atomic units. In the formulas (1), (1a), (1b) and (1c), A1 to A4 each independently stands for a hydrogen atom, a fluorine atom, or an alkyl or alkoxy group having 1 to 10 carbon atoms optionally substituted with at least one fluorine atom; and P1 and P2 may have any chemical structures as long as P1 and P2 satisfy the conditions of the HOMO energy and polarizability anisotropy.
    • 目的:提供具有苯乙炔结构的化合物,液晶组合物,聚合物,光学各向异性产物,光学或液晶元件,二苯并噻吩化合物,其中间体及其制备方法。 构成:该化合物由式(1)表示,其中由式(1a),(1b)表示的式(1)部分的最高占位分子轨道(HOMO)的能量差ΔE| E :P1-H或(1c):通过分子轨道的方法计算的P2-H满足下式:£Delta | E = E1-1-(E1-2 + E1-3)/ 2> = 0.3电子伏特 E1-1,E1-2和E1-3分别表示通过分子法测定的式(1)的式(1a),(1b)和(1c)表示的相应部分的HOMO能量 轨道)和极化率各向异性£Delta |£alpha | 由所述方法计算的由式(1)表示的分子不低于500原子单位。 在式(1),(1a),(1b)和(1c)中,A1至A4各自独立地表示氢原子,氟原子或具有1-10个碳原子的烷基或烷氧基, 至少一个氟原子; P1和P2可以具有任何化学结构,只要P1和P2满足HOMO能量和极化率各向异性的条件即可。