Pseudo-absolute quantitative analysis using gas chromatography – Vacuum ultraviolet spectroscopy – A tutorial

2017 ◽  
Vol 953 ◽  
pp. 10-22 ◽  
Author(s):  
Ling Bai ◽  
Jonathan Smuts ◽  
Phillip Walsh ◽  
Changling Qiu ◽  
Harold M. McNair ◽  
...  
Keyword(s):  
Gas Chromatography ◽  
Quantitative Analysis ◽  
Vacuum Ultraviolet ◽  
Ultraviolet Spectroscopy ◽  
Vacuum Ultraviolet Spectroscopy

Identifying Thermal Decomposition Products of Nitrate Ester Explosives Using Gas Chromatography–Vacuum Ultraviolet Spectroscopy: An Experimental and Computational Study

2020 ◽  
Vol 74 (12) ◽  
pp. 1486-1495 ◽  
Author(s):  
Courtney A. Cruse ◽  
Jingzhi Pu ◽  
John V. Goodpaster
Keyword(s):  
Thermal Decomposition ◽  
Gas Chromatography ◽  
Density Functional ◽  
Vacuum Ultraviolet ◽  
Computational Study ◽  
Ultraviolet Spectroscopy ◽  
Decomposition Products ◽  
Nitrate Ester ◽  
Vacuum Ultraviolet Spectroscopy ◽  
Synchrotron Spectroscopy

Analysis of nitrate ester explosives (e.g., nitroglycerine) using gas chromatography–vacuum ultraviolet spectroscopy (GC–VUV) results in their thermal decomposition into nitric oxide, water, carbon monoxide, oxygen, and formaldehyde. These decomposition products exhibit highly structured spectra in the VUV that is not seen in larger molecules. Computational analysis using time-dependent density functional theory (TDDFT) was utilized to investigate the excited states and vibronic transitions of these decomposition products. The experimental and computational results are compared with those in previous literature using synchrotron spectroscopy, electron energy loss spectroscopy (EELS), photoabsorption spectroscopy, and other computational excited state methods. It was determined that a benchtop GC–VUV detector gives comparable results to those previously reported, and TDDFT could predict vibronic spacing and model molecular orbital diagrams.

Gas chromatography–vacuum ultraviolet spectroscopy for multiclass pesticide identification

2015 ◽  
Vol 1389 ◽  
pp. 120-127 ◽  
Author(s):  
Hui Fan ◽  
Jonathan Smuts ◽  
Phillip Walsh ◽  
Dale Harrison ◽  
Kevin A. Schug
Keyword(s):  
Gas Chromatography ◽  
Vacuum Ultraviolet ◽  
Ultraviolet Spectroscopy ◽  
Vacuum Ultraviolet Spectroscopy

Gas chromatography–vacuum ultraviolet spectroscopy for analysis of fatty acid methyl esters

2016 ◽  
Vol 194 ◽  
pp. 265-271 ◽  
Author(s):  
Hui Fan ◽  
Jonathan Smuts ◽  
Ling Bai ◽  
Phillip Walsh ◽  
Daniel W. Armstrong ◽  
...  
Keyword(s):  
Gas Chromatography ◽  
Fatty Acid ◽  
Fatty Acid Methyl Esters ◽  
Vacuum Ultraviolet ◽  
Methyl Esters ◽  
Ultraviolet Spectroscopy ◽  
Acid Methyl ◽  
Vacuum Ultraviolet Spectroscopy
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