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

被引:81
作者
Barber, J
Hooks, DE
Funk, DJ [1 ]
Averitt, RD
Taylor, AJ
Babikov, D
机构
[1] Los Alamos Natl Lab, DX Div, Los Alamos, NM 87545 USA
[2] Los Alamos Natl Lab, MST Div, Los Alamos, NM 87545 USA
[3] Marquette Univ, Dept Chem, Milwaukee, WI 53201 USA
关键词
D O I
10.1021/jp044384h
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
收藏
页码:3501 / 3505
页数:5
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