Abstract
The dielectric barrier discharge ionization detector (BID) is one of the most modern detectors commercially available for gas chromatography (GC). Its technology based on the sample ionization through the energy released from the helium plasma generation process gives it the ability to act as a universal detector and a greater response to various types of compounds compared to the well-established flame ionization detector (FID). In this study, polycyclic aromatic hydrocarbons (PAHs), organophosphates (OPPs) and organochlorines pesticides (OCPs) were investigated. The parameters that could explain the performance of the BID and FID detectors were: structural factors, ionization energy (IE) and energy of the highest occupied molecular orbital (EHOMO), which were obtained by density functional theory (DFT). The relative (BID/FID) responses to PAHs and pesticides were about 1.8 and 3.0 times greater than FID, respectively. Less structural dependence of the BID signal compared to the FID signal was observed. Among the parameters calculated by DFT, the IE was the one that most seemed to have influenced the response of the two detectors studied. The theoretical data proved to be quite consistent to explain the trends observed experimentally, especially to the BID.
Highlights
The development of sensitive detectors for trace-level analysis is of great importance in gas chromatography (GC).[1]
This work aimed to study the influence of ionization energy (IE) and energy of the highest occupied molecular orbital (EHOMO) obtained by functional density theory (DFT) and chemical structures to try to explain the differences in responses between the barrier discharge ionization detector (BID) and the flame ionization detector (FID) for the determination of polycyclic aromatic hydrocarbons (PAHs), organophosphorous pesticides (OPPs) and organochlorines (OCPs)
The BID is sensitive to concentration and the FID is sensitive to mass.[32,33]
Summary
The development of sensitive detectors for trace-level analysis is of great importance in gas chromatography (GC).[1]. There is a wide variety of detection technologies adapted to GC, which can be specific for the determination of a certain class of chemicals (volatile and semi-volatile), such as the electron capture detector (ECD), nitrogen phosphorous detector (NPD)[2-4] and others capable of detecting a wide variety of molecules, such as flame ionization detector (FID), thermal conductivity detector (TCD) and the mass spectrometer (MS). The dielectric barrier discharge ionization detector (BID) is a detection system developed more recently for CG, belonging to the class of photoionization detectors. The BID is based on dielectric barrier discharge technology (DBD) or “silent discharge”, where a low temperature helium plasma is used as a source capable of ionizing a wide variety of gases and organic molecules.[6,7]. The BID is based on dielectric barrier discharge technology (DBD) or “silent discharge”, where a low temperature helium plasma is used as a source capable of ionizing a wide variety of gases and organic molecules.[6,7] In the BID system, a high energy discharge is formed when a high voltage alternating current is applied through electrodes, being one or both electrodes covered by a
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