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环境空气中大气压电晕放电电离产生的20处负离子的鉴定。

Identification of Negative Ion at 20 Produced by Atmospheric Pressure Corona Discharge Ionization under Ambient Air.

作者信息

Fujishima Shiho, Sekimoto Kanako, Takayama Mitsuo

机构信息

Graduate School in Nanobioscience, Yokohama City University, 22-2 Seto, Kanazawa-ku, Yokohama 236-0027, Japan.

出版信息

Mass Spectrom (Tokyo). 2023;12(1):A0124. doi: 10.5702/massspectrometry.A0124. Epub 2023 Jun 21.

Abstract

The negative ion at 20 observed at atmospheric pressure corona discharge ionization mass spectra has been identified by supplying the vapors of deuterium oxide (DO) and HO. From the mass shifts of the ion at 20 observed with DO and HO, it was suggested that the chemical composition of the ion at 20 is to be HO. Further mass shift from 20 to 22 was observed by supplying the vapor of perfluorokerocene, suggesting the chemical composition of HF. The chemical compositions of the negative ions HO and HF were consistence with the dipole-bound complex states between hydrogen H and polar molecules such as HO and hydrogen fluoride (HF) having dipole moments beyond a critical dipole moment of 1.625 D, theoretically proposed by Skurski and Simons. The ionic chemical compositions and structures of HO and HF obtained with density functional theory calculations implied that both dipole-bound complex HO…H and HF…H can be formed by exothermic reactions by which H molecule is complexing with negative ions HO and HF, respectively.

摘要

通过供应氧化氘(DO)和HO的蒸汽,已确定在大气压下电晕放电电离质谱中观察到的20处的负离子。从用DO和HO观察到的20处离子的质量位移来看,表明20处离子的化学组成为HO。通过供应全氟二茂铁的蒸汽观察到从20到22的进一步质量位移,表明其化学组成为HF。负离子HO和HF的化学组成与Skurski和Simons理论提出的氢H与偶极矩超过临界偶极矩1.625 D的极性分子(如HO和氟化氢(HF))之间的偶极束缚复合态一致。用密度泛函理论计算得到的HO和HF的离子化学组成和结构表明,偶极束缚复合物HO…H和HF…H都可以通过放热反应形成,在这些反应中,H分子分别与负离子HO和HF复合。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/681a/10288065/40bdafe2df97/massspectrometry-12-1-A0124-figure01.jpg

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