2,5-二氟苯酚分子之旋转异构物的质量分辨阈值电离光谱(英文)  

Rotamers of 2,5-Difluorophenol Studied Using Mass-Analyzed Threshold Ionization Spectroscopy

作　　者：吴沛颖 曾圣渊 蔡青妘 曾文碧[1,3] 

机构地区：[1]台湾中央研究院原子与分子科学研究所,生化分子质谱与光谱学实验室,中国台北10617 [2]台湾大学化学系,中国台北10617 [3]台湾师范大学化学系,中国台北11677

出　　处：《物理化学学报》2016年第4期893-900,共8页Acta Physico-Chimica Sinica

基　　金：supported by the Ministry of Science and Technology of the Republic of China(MOST-103-2113-M-001-00,MOST-104-2113-M-001-014)~~

摘　　要：利用共振双光子电离(R2PI)技术和质量分辨阈值电离(MATI)技术来研究2,5-二氟苯酚分子。实验所测得的顺式、反式2,5-二氟苯酚分子电子激发能E_1分别为36448和36743 cm^(-1),绝热电离能分别为71164和71476 cm^(-1)。这两个顺反转动同素异构分子在电子激发S_1态与离子D_0态活性振动主要是由于面内环变形和与取代基相关的弯曲振动。分析2,5-二氟苯酚分子的振动光谱、D_0态离子光谱以及理论计算均表明这两个转动异构体在D_0态的几何构型与S_1态的中性几何构型相当相似。We applied resonant two-photon ionization（R2PI） and mass-analyzed threshold ionization（MATI）techniques to record the vibronic and cationic spectra of 2,5-difluorophenol. The distinct bands at 36448 and36743 cm-1were confirmed as the origins of the S1← S0 electronic transition of the cis and trans rotamers,respectively. The corresponding adiabatic ionization energies were found to be 71164 and 71476 cm-1for these two rotameric species. The observed spectral features mainly result from the in-plane ring deformation and substituent-sensitive bending vibrations. Spectral analysis suggests that the molecular geometry and vibrational coordinates of the cation in the D0 state resemble those of the neutral species in the S1 state for both cis and trans rotamers.

关 键 词：共振双光子电离技术 阈值电离 振动光谱 离子态光谱 2 5-二氟苯酚 

分 类 号：O625.33[理学—有机化学]