N-乙基七咔唑树状分子的合成、光物理性能、电化学性能及双光子吸收性能的研究

无定形N-乙基七咔唑树状分子通过溴化反应和乌尔曼偶联反应合成。运用密度泛函理论（TD-DFT），在B3LYP/6-31G(d,p)水平上，理论计算出分子的HOMO、LUMO能级。对七咔唑的光物理性能进行了研究，化合物在292nm产生最大吸收峰，最大发射峰在393nm。利用循环伏安法对化合物的电化学性能进行了研究，七咔唑产生可逆的双氧化峰，起始氧化势为0.74V.七咔唑的双光子吸收截面为13.86GM.

Synthesis, optical properties, electrochemical properties and two-photon absorption properties of 1,4-bis[3,6-di(carbazol-9-yl) carbazol -9-yl]-9-(ethyl)carbazole

Amorphous carbazole dendrimers，1,4-bis3,6-di(carbazol-9-yl)carbazol -9-yl]-9-(ethyl)carbazole was synthesized by two ways involving bromination (iodination) and Ullmann coupling reactions. HOMO and LUMO energies were obtained based on the optimized geometrical structures by TD-DFT(B3LYP) methods .its luminescent properties has been studied. The compound has an absorption maximum at 238 nm, The photoluminescence (PL) spectra of the compound 4 showed identical emission shape with the maxima at 393.the Compound Showed excellent electrochemical reversibility. The onset oxidation potential was 0.74V. TPA cross sections of compound 4 is 13.86GM.