2-(芘-1-基)-1,8-萘啶的合成、理论计算及超快三阶非线性光学响应  

Synthesis,Theoretical Investigation and Ultrafast Third-Order Nonlinear Optical Response of 2-( Pyren-1-yl)-1,8-naphthyridine

作　　者：孙金鱼[1] 王桂林[1] 石玉芳[1] 刘成琪[1] 赵明根[1] SUN Jinyu;WANG Guilin;SHI Yufang;LIU Chengqi;ZHAO Minggen(Key Laboratory of Materials and Computational Chemistry,Department of Chemistry,Xinzhou Teachers University,Xinzhou,Shanxi 034000,China)

机构地区：[1]忻州师范学院化学系山西省材料与计算化学重点实验室

出　　处：《应用化学》2019年第10期1172-1178,共7页Chinese Journal of Applied Chemistry

基　　金：山西省“1331工程”重点学科建设计划(2017-122)资助~~

摘　　要：合成了一个供体-受体(D-A)型含芘萘啶衍生物2-(芘-1-基)-1,8-萘啶(PN)。通过核磁共振波谱(NMR)、傅里叶变换红外光谱(FTIR)、液-质联用仪(LC-MS)表征了其结构。通过电子光谱和Z-扫描技术方法分别研究了化合物PN的线性光学性质和三阶非线性光学吸收,采用综合热分析方法测定了它的热稳定性。结果表明,在532 nm、180 fs条件下,PN的三阶非线性吸收行为为反饱和吸收,其吸收系数为β=9.0×10^-14 m/W,显示出超快三阶非线性光学响应。运用密度泛函理论方法计算了分子轨道能量、极化率和超极化率,结果表明电子转移能够在分子内部进行。2-(芘-1-基)-1,8-萘啶的紫外光谱在450 nm以上无吸收,在非线性光学吸收、激光防护、吸收型光开关或双稳器件等方面可作备选材料。A new donor-acceptor(D-A)pyrene-containing naphthalene derivative 2-(pyrene-1-yl)-1,8-naphthyl was synthesized and characterized by nuclear magnetic resonance spectrometry(1 H NMR,^13C NMR),Fourier transform infrared spectrometry(FTIR)and liquid chromatography-mass spectrometry(LC-MS).The linear optical properties and third-order nonlinear optical absorption of 2-(pyrene-1-yl)-1,8-naphthyridine(PN)were studied by means of the electron spectroscopy and Z-scan technique,respectively.The thermal stability of PN was determined by thermogravimetry and differential scanning calorimetry.The experimental results show that the nonlinear absorption coefficient of PN at 532 nm and 180 fs isβ=9.0×10^-14 m/W,exhibiting ultrafast third-order nonlinear optical response.The molecular orbital energy,polarizability and hyperpolarizability were calculated by density functional theory,and the results show that electron transfer can take place within the molecule.There is no absorbance at more than 450 nm in ultraviolet spectrum of PN.So it is a candidate material for the next in nonlinear optical absorption,laser protection,absorption optical switch or bistable devices.

关 键 词：含芘萘啶衍生物 Z-扫描技术 理论计算 超快三阶非线性光学响应 

分 类 号：O625.6[理学—有机化学]