CAJ | 학술논문

　　为了解决“非线性－透光性矛盾”，运用“分子工程”和“晶体工程”理论，设计合成了一种含咔唑环的A?π?D?π?A型生色分子．用红外、核磁共振氢谱、核磁共振碳谱、元素分析和质谱等对性能进行了表征．依据双能级模型，选用合适的溶致变色方程，测定了该生色分子的二阶极化率，并对测定过程进行了详细阐述．结果表明该生色分子具有较大的二阶极化率，平均值为519×10－30 cm5·esu－1，并有较好的透光性，最大吸收波长在446～452 nm．“非线性－透光性矛盾”的协调解决取决于共轭链的长度、电子给体和电子受体的选择以及二维电荷转移结构的设计等分子综合优化设计思路．
　　위료해결“비선성－투광성모순”，운용“분자공정”화“정체공정”이론，설계합성료일충함잡서배적A?π?D?π?A형생색분자．용홍외、핵자공진경보、핵자공진탄보、원소분석화질보등대성능진행료표정．의거쌍능급모형，선용합괄적용치변색방정，측정료해생색분자적이계겁화솔，병대측정과정진행료상세천술．결과표명해생색분자구유교대적이계겁화솔，평균치위519×10－30 cm5·esu－1，병유교호적투광성，최대흡수파장재446～452 nm．“비선성－투광성모순”적협조해결취결우공액련적장도、전자급체화전자수체적선택이급이유전하전이결구적설계등분자종합우화설계사로．
A new nonlinear optical A?π?D?π?A type chromophore with a carbazyl donor was designed and synthe?sized to balance the nonlinearity-transparency trade?off by Molecular Engineering Theory (MET) and Crystal Engi?neering Theory (CET). The chromophore was characterized by IR, 1 H NMR, 13 C NMR, MS and element analysis. The second?order polarizability of the chromophore was detected by a solvatochromic method based on two?level models, and the detection process was expounded in detail. The results show that the chromophore had a large sec?ond?order polarizability, averaging about 519×10-30 cm5 ·esu?1and exhibited good transparency. The largest absorp?tion wavelength was within 446~452 nm. The coordination of nonlinearity?transparency trade?off depends on the comprehensive molecular optimization design ideas, including conjugation length, the choice of electron acceptors, electron donors and the design of the two?dimensional charge transfer structure, etc.