Department of Applied Chemistry, Graduate School of Engineering, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka, 819-0395, Japan.
Laboratory of Chemistry, Graduate School of Design, Kyushu University, 4-9-1 Shiobaru, Minami-ku, Fukuoka, 815-8540, Japan.
J Am Soc Mass Spectrom. 2016 Dec;27(12):1999-2005. doi: 10.1007/s13361-016-1497-7. Epub 2016 Sep 27.
Structural isomers and enantiomers of hexachlorocyclohexane (HCH) were separated using a chiral column by gas chromatography and quantitatively determined by multiphoton ionization mass spectrometry using an ultraviolet femtosecond laser (200 and 267 nm) as the ionization source. The order of elution of the enantiomers (i.e., (+)-α-HCH and (-)-α-HCH) was predicted from stabilization energies calculated for the complexes using permethylated γ-cyclodextrin as the stationary phase of the column, and the results were compared with the experimental data. The molecular ions observed for HCH were weak, even though they can be ionized through a process of resonance enhanced two-photon ionization at 200 nm. This unfavorable result can be attributed to the dissociation of the molecular ion, as predicted from quantum chemical calculations. Graphical Abstract ᅟ.
使用手性柱通过气相色谱法分离六氯环己烷（HCH）的结构异构体和对映异构体，并使用紫外飞秒激光（200nm 和 267nm）作为电离源的多光子电离质谱法进行定量测定。使用作为柱固定相的全甲基化 γ-环糊精计算配合物的稳定能，预测对映异构体（即（+）-α-HCH 和（-）-α-HCH）的洗脱顺序，并将结果与实验数据进行比较。尽管可以通过在 200nm 处进行共振增强双光子电离过程来使 HCH 的分子离子电离，但观察到的分子离子很弱。这种不利的结果可以归因于从量子化学计算预测的分子离子的离解。
