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DOI	10.1016/j.atmosenv.2020.117687
	Direct detection of gas-phase mercuric chloride by ion drift - Chemical ionization mass spectrometry
	Khalizov A.F.; Guzman F.J.; Cooper M.; Mao N.; Antley J.; Bozzelli J.
发表日期	2020
ISSN	1352-2310
卷号	238
英文摘要	Mercury is a persistent environmental pollutant that enters the atmosphere mostly in elemental form (Hg0) and leaves in oxidized form. The atmospheric oxidation mechanism of Hg0 is inadequately constrained because of the limited direct experimental knowledge of molecular identities of gaseous oxidized mercury (GOM), severely hindering the evaluation of mercury deposition to the terrestrial and aqueous environment. Here we present the development and testing of a direct approach for laboratory detection of GOM, using the ion drift - chemical ionization mass spectrometry (ID-CIMS). In this approach, GOM reacts in an ion drift tube with an appropriate reagent ion to form well-defined product ions, which are detected by a quadrupole mass spectrometer equipped with a counting electron multiplier. We used HgCl2 as GOM surrogate, along with SF6−, CO3−, and NO3−⋅HNO3 as reagent ions, which were selected based on quantum chemical evaluations of several possible reaction mechanisms, including charge transfer, ion transfer, and ion-molecule clustering. All three reagent ions react with HgCl2 through one or more of the above mechanisms, providing a sensitivity sufficient for laboratory studies of atmospheric mercury chemistry. To make direct sampling of atmospheric GOM possible, the sensitivity must be improved, primarily through the use of the ambient pressure chemical ionization. © 2020 Elsevier Ltd
关键词	Atmosphere CCSD(T)Chemical ionization Detection DFT Mass spectrometry Mercury
语种	英语
scopus关键词	Atmospheric ionization; Charge transfer; Chemical detection; Chlorine compounds; Electron multipliers; Ions; Mass spectrometry; Mercury compounds; Nitric acid; Oxidation; Quantum chemistry; Reagents; Atmospheric oxidation; Chemical ionization mass spectrometry; Development and testing; Environmental pollutants; Experimental knowledge; Gaseous oxidized mercuries; Molecular identities; Quadrupole mass spectrometer; Atmospheric chemistry; ion; mercuric chloride; atmospheric chemistry; chemical analysis; chloride; detection method; environmental fate; experimental study; ion; ionization; mass spectrometry; oxidation; ab initio calculation; Article; binding affinity; chemical ionization mass spectrometry; density functional theory; electron transport; gas; ion drift chemical ionization mass spectrometry; ion transport; ionization; limit of detection; oxidation; priority journal; reaction analysis
来源期刊	ATMOSPHERIC ENVIRONMENT
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/249028
作者单位	Department of Chemistry and Environmental Science, New Jersey Institute of Technology, Newark, NJ 07102, United States; Department of Chemical and Materials Engineering, New Jersey Institute of Technology, Newark, NJ 07102, United States; The Center for Solar and Terrestrial Research, Department of Physics, New Jersey Institute of Technology, Newark, NJ 07102, United States
推荐引用方式 GB/T 7714	Khalizov A.F.,Guzman F.J.,Cooper M.,et al. Direct detection of gas-phase mercuric chloride by ion drift - Chemical ionization mass spectrometry[J],2020,238.
APA	Khalizov A.F.,Guzman F.J.,Cooper M.,Mao N.,Antley J.,&Bozzelli J..(2020).Direct detection of gas-phase mercuric chloride by ion drift - Chemical ionization mass spectrometry.ATMOSPHERIC ENVIRONMENT,238.
MLA	Khalizov A.F.,et al."Direct detection of gas-phase mercuric chloride by ion drift - Chemical ionization mass spectrometry".ATMOSPHERIC ENVIRONMENT 238(2020).