基组选用经典的6-31+G(d,p)基组,在高斯09软件包的支持下对高激子利用率的TADF分子(ACRFLCN、Spiro-CN、PXZ-TRZ、CzT、PhCzTAZ、PXZ-OXD、2PXZ-OXD、PXZ-TAZ和2PXZ-TAZ)进行基态、激发态、吸收发射光谱、跃迁特性及其能级分布计算和分析。得出:杂化泛函M062X和BMK,长程矫正泛函ωB97X对TADF分子的计算均有很...
改性螺-吖啶衍生物ACRFLCN和Spiro-CN 热激活延迟荧光(TADF)材料 科研人员合成了一种改性螺-吖啶衍生物ACRFLCN, 该分子发光效率为67.3%,激子利用率75%。 改性螺-吖啶衍生物ACRFLCN是典CT态分子,具有较小的能级差,△Esr=0.028 eV,OLEDs器件的EQE为10.1%。 一种化合物Spiro-CN, 激子利用率为85%,发光效率为27...
研究小组最近发表的工作在一系列已知且经过实验充分表征的TADF 材料(即2CzPN、CC2TA、PIC-TRZ、PXZ)中计算了k RISC、自旋轨道耦合 (SOC) 和ΔEST -TRZ、ACRFLCN、spiro-CN、4CzIPN、4CzIPN-Me、4CzPN、4CzTPN和4CzTPN-Me以及两种非TADF材料CBP和α-NPD. 该小组利用 B3LYP/6-31G(d) 水平的理论来优化基...
SPIRO-CYCLOPROPANESCyclopropane derivatives of the formula WHEREIN R1 and R2 are alkyl; R3 is hydrogen, alkynyl or cyano; R4 is optionally substituted phenyl and in is an integer of 2 to 5, are useful as pesticides.doi:CA1052797 A1ROYSTON HENRY DAVIS...
Spiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1'(2'H)-isoquinolin]-19-one, 3',4',6,6a,7,13,14,16-octahydro-5,6',8,14-tetrahydroxy-7',9-dimethoxy-4,10,23-trimethyl-, (1'R,6R,6aR,7R,13S,14S,16R)- (9CI...
中文名: SPIRO[ISOQUINOLINE-4(3H),4'-PIPERIDIN]-3-ONE, 1,2-DIHYDRO- 中文别名: CBNumber: CB33165598 分子式: C13H16N2O 分子量: 216.28 MOL File: 676607-38-8.mol 化学性质 安全信息 用途 供应商 3 SPIRO[ISOQUINOLINE-4(3H),4'-PIPERIDIN]-3-ONE, 1,2-DIHYDRO-化学性质 沸点: 452.9±45.0 ...
英文名:SPIRO[1,3-DIPHENYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE-5,5'-(3'-METHYL-2',3',4',4A',5',6'-HEXAHYDRO-1'H-PYRIDO[1',2'-A']QUINOLINE)] 中文名: CBNumber:CB2279495 分子式:C29H27N3O3 分子量:465.54 MOL File:Mol file SPIRO[1,3-DIPHENYL-2,4,6(1H,3H,5H)-PYRIMIDINETRION...
2,2,6,6-Tetramethyl-4-piperidyl spiro aliphatic ethers which are useful as stabilizers for organic polymeric materials, and have the general formula are disclosed: ##STR1## wherein: Y.sub.1 is ##STR2## A. sub.1, A.sub.2, A.sub. 3, A.sub.4, A.sub.5, and A.sub.6 are gr...
Spiro-benzofluorene derivative as well as preparation method and application thereofThe invention provides a spiro-benzofluorene derivative as well as a preparation method and an application thereof, in particular provides a compound adopting the structure of formula I shown in the specification, where...
CAS号:112642-45-2 英文名:Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-7'-ol, 3',4',6,8-tetrahydro-6'-methoxy-2'-methyl-6-methylene-, acetate (ester), (S)- (9CI) 中文名: CBNumber:CB68247122 分子式:C23H23NO5 分子量:393.43 MOL File:112642-45-2.mol...