摘要
采用傅里叶变换红外光谱技术和太赫兹时域光谱技术,在室温下对全反式β-胡萝卜素薄膜进行了光谱测试.据此,详细地指认出全反式β-胡萝卜素在太赫兹波段的指纹谱峰,并验证了近期报道的棕树叶的太赫兹光谱结果.运用密度泛函理论的B3LYP方法计算了全反式β-胡萝卜素的太赫兹光谱,理论计算结果与实验测量结果基本符合.此外,根据理论计算结果,对实测的太赫兹特征峰的振动模式进行了系统归属.本文研究结果有助于推动有机物的太赫兹光谱规律和太赫兹响应原理等理论与应用研究.
The β-carotene is a short chain polyene molecule containing nine π-electron conjugated double-bonds. Because of its special molecular structure, β-carotene has been used widely in many fields, including functional materials, optoelectronic devices and biological applications of light collection, light protection, anti-cancer, etc. Recently, new applications ofβ-carotene in generation and detection of terahertz（THz） wave have also attracted great attention. In this work, alltrans β-carotene films are prepared by spray coating, and the THz spectra in a wavenumber range of 30–400 cm^（-1）（a frequency range of 0.9–12 THz） of the as-prepared products are experimentally measured at room temperature by Fourier transform infrared spectroscopy. For comparison, the THz spectra in 0.5–3.0 THz are also characterized at the same temperature by THz time-domain spectroscopy. Based on these measurements, the fingerprint peaks of all-transβ-carotene in the THz region are experimentally identified to be located at 54 cm^（-1）（1.62 THz）, 57 cm^（-1）（1.71 THz）,64 cm^（-1）（1.91 THz）, 77 cm^（-1）（2.32 THz）, 90 cm^（-1）（2.69 THz）, 98 cm^（-1）（2.95 THz）, 115 cm^（-1）（3.45 THz）, 124 cm^（-1）（3.72 THz）, 134 cm^（-1）（4.02 THz）, 170 cm^（-1）（5.11 THz）, 247 cm^（-1）（7.42 THz）, and 279 cm^（-1）（8.38 THz）, respectively.It is worth noting that the recent results about the THz spectra of palm leaves are thus verified. Particularly, the B3 LYP method of density functional theory is further utilized in this work to theoretically simulate the THz spectra of all-transβ-carotene molecule. It is revealed that the theoretical simulation results accord well with those experimentally measured data. In addition, we also find that the absorption peaks are caused by the torsion, deformation and rocking vibration of the molecules. Accordingly, the vibrational modes of the measured THz characteristic peaks at 148 cm^（-1）（4.44 THz）,132 cm^（-1�
作者
闫微
马淼
戴泽林
谷雨
朱宏钊
刘禹彤
许向东
韩守胜
彭勇
Yan Wei Ma Miao Dai Ze-Lin Gu Yu Zhu Hong-Zhao Liu Yu-Tong Xu Xiang-Dong Han Shou-Sheng Peng Yong(School of Optoelectronic Information, University of Electronic Science and Technology of China, Chengdu 610054, China)
出处
《物理学报》
SCIE
EI
CAS
CSCD
北大核心
2017年第3期316-322,共7页
Acta Physica Sinica
基金
国家自然科学基金(批准号:61071032
61377063)资助的课题~~
