摘要
合成两种新颖的含二茂铁基团的查尔酮衍生物:1-二茂铁基-3-(4-叔丁基苯基)丙烯酮(a)和1-二茂铁基-3-联苯基丙烯酮(b),经~1H NMR、^(13)C NMR和HR-MS对其结构进行了表征,并测定了化合物的热力学性质。采用量子化学方法计算了它们的分子轨道能量和极化率,给出了轨道电子云图。采用紫外-可见吸收光谱和Z-扫描技术分别测定了其线性和非线性光学性质。结果表明,与原料乙酰基二茂铁相比,化合物a和b的紫外吸收明显增强,且b的吸收波长更长;化合物a和b均存在分子内电荷转移现象,表现出超快三阶非线性光学响应。
Two novel chalcone derivatives with ferrocenyl,1-ferrocenyl-3-（ 4-tert-butylphenyl） acrylic ketone（ a） and 1-ferrocenyl-3-biphenylyl acrylic ketone（ b） were synthesized and characterized by ^1H NMR,^13C NMR and HR-MS. The thermodynamic properties of compounds a and b were measured. Their molecular orbital energies and polarizabilities were calculated by quantum chemical method,and then the electronic cloud figures of these orbitals were obtained. Their linear and nonlinear optical properties were investigated using UV-Vis absorption spectra and Zscan technique,respectively. The results indicated that the absorption of compounds a and b increases significantly,and the absorption wavelength of compound b is longer. Both compounds a and b have intramolecular charge transfer phenomena,exhibiting ultrafast third-order nonlinear optical response.
作者
石玉芳
王迎进
孙金鱼
赵明根
Shi Yufang;Wang Yingjin;Sun Jinyu;Zhao Minggen(Key Laboratory of Materials and Computational Chemistry,Department of Chemistry,Xinzhou Teachers University,Xinzhou 03400)
出处
《化学通报》
CAS
CSCD
北大核心
2018年第8期739-744,共6页
Chemistry
基金
山西省"1331工程"重点学科建设计划(2017-42)资助
关键词
二茂铁衍生物
查尔酮
合成
超快三阶非线性光学响应
Ferrocene derivatives
Chalcone
Synthesis
Ultrafast third-order nonlinear optical response
