Gas-phase databases for quantitative infrared spectroscopy
Gas-phase databases for quantitative infrared spectroscopy
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DOI：
10.1366/0003702042641281
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发表时间：
2004-12-01
影响因子：
3.5
通讯作者：
Johnson, PA
中科院分区：
文献类型：
--
作者：
Sharpe, SW;Johnson, TJ;Johnson, PA
美国国家标准与技术研究所(NIST)和太平洋西北国家实验室(PNNL)都在创建包含纯化学品的气相红外光谱的定量数据库。创建数字数据库时考虑到了实验室和遥感应用。选择了接近0.1厘米(-1)的光谱分辨率，以避免锐利的光谱特征退化，同时也认识到大气加宽通常将线宽限制在0.1厘米(-1)。计算的位置(波数，厘米(-1))不确定度小于或等于0.005厘米(-1)，而吸光度值的1sigma统计不确定度为
The National Institute of Standards and Technology (NIST) and the Pacific Northwest National Laboratory (PNNL) are each creating quantitative databases containing the vapor-phase infrared spectra of pure chemicals. The digital databases have been created with both laboratory and remote-sensing applications in mind. A spectral resolution of approximate to0.1 cm(-1) was selected to avoid degrading sharp spectral features, while also realizing that atmospheric broadening typically limits line widths to 0.1 cm(-1). Calculated positional (wave-number, cm(-1)) uncertainty is less than or equal to0.005 cm(-1), while the 1sigma, statistical uncertainty in absorbance values is