Temperature-dependent far-infrared spectra of single crystals of high explosives using terahertz time-domain spectroscopy

Temperature-dependent far-infrared spectra of single crystals of high explosives using terahertz time-domain spectroscopy
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DOI:
10.1021/jp044384h
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发表时间:
2005-04-21
影响因子:
2.9
通讯作者:
Babikov, D
Babikov, D
中科院分区:
化学3区
文献类型:
--
作者:
Barber, J;Hooks, DE;Babikov, D

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利用太赫兹时域光谱技术,在10 ~ 80 cm(-1)范围内获得了HMX(八氢-1,3,5,7-四硝基-1,3,5,7-四氮杂辛)、RDX(六氢-1,3,5-三硝基-1,3,5-三嗪)和PETN(季戊四醇四硝酸酯)单晶的测量光谱。光谱是在8.4 - 300 K的温度范围内拍摄的。通常,光谱在50-80 cm(-1)范围内显示多个吸收峰,其中PETN(110)在室温下显示强吸收特征。RDX(210)在10-40 cm(-1)区域最显著,显示出多种光谱特征,而HMX(0 10)在47.8 cm(-1)处显示出非常宽的吸收,半高宽为37.3 cm(-1)。未来的计划包括在更大的光谱范围内对多个晶体取向进行偏振相关的研究和更高层次的理论计算。
Survey spectra of single-crystal HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-teti-azocine), RDX (hexahydro1,3,5-trinitro-1,3,5-triazine), and PETN (pentaerythritol tetranitrate) were acquired in the region from 10 to 80 cm(-1) using terahertz time-domain spectroscopy. The spectra were taken at temperatures ranging from 8.4 to 300 K. Generally, the spectra show multiple absorption peaks in the range 50-80 cm(-1), with PETN (110) showing strong absorption features at room temperature. RDX (210) is the most notable in the region 10-40 cm(-1), showing multiple spectral features, while HMX (0 10) shows a very broad absorption at 47.8 cm(-1) with a fwhm of 37.3 cm(-1). Future plans include polarization-dependent investigations for multiple crystallographic orientations over an increased spectral range and higher-level theoretical calculations.