Decay sequences - ion series of mass spectra of benzene, 1,3,5,7-cyclooctatetraene, [18]-annulene, hexafluorobenzene and its isomers

Nikolay D. Kagramanov
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引用次数: 2

Abstract

: This research is devoted to the results of the analysis of decay sequences - ion mass spectra of benzene, 1,3,5,7-cyclooctatetraene, [18]-annulene, as well as hexafluorobenzene and its homologues. The difference between the primary abstraction groups in the spectra of benzene: . H, CH, . C 2 H,C 3 H 3 , C 4 H 2 , . C 5 H 3 and hexafluorobenzene: . F and CF contradicts the analogy of their fragmentation pathways. Upon ionization and removal of one of the six π -electrons of benzene, its + . M cation-radical arises with the corresponding excitation energy and one of five variants of rearrangement of conjugations of π -electrons of its carbon core. The mass spectrum of benzene consists of six series of fragment ions. The first series of ions, including the successive detachment of six hydrogen atoms with the formation of the + C 6 ion, is the result of the fragmentation of the excited + . M 1 , in which the existing π -conjugations of the carbon cycle are preserved and their rearrangement does not occur. The primary detachments of the CH, . C 2 H, C 3 H 2 , C 4 H 2 , and . C 5 H 3 groups of five other ionic series confirm that in excited + . M benzene, five variants of rearrangement of π consist of 6, 18, and 8 series of ions, respectively, the number of which corresponds to the number of carbon atoms of these cycles. This coincidence is the result of the fact that, during the fragmentation of excited molecular radical cations, all possible variants of the rearrangement of their π -conjugations are realized, as well as the fragmentation variant-with the preservation of existing conjugations, when only the abstraction of hydrogen atoms occurs. The ionic series of benzene, 1,3,5,7-cyclooctatetraene C 8 H 8 , and [18]-annulene C 18 H 18 fragment without branching or intersecting. In contrast to the six ionic series of benzene, hexafluorobenzene fragments with the formation of two series, that differ in the sequence of detachments. One of the series of ions includes successive abstractions of four fluorine atoms, CF and . F to form the + C 5 ion. The other, after the primary detachment of the CF, branches, fragmenting both with the detachment of the CF and with the detachment of the . F. In contrast to the ionic series of the mass spectrum of benzene, in the spectra of hexafluorobenzene and its isomers, the rearrangement of π -conjugations of the ring does not occur, since none of the two ionic series formed is the result of the appearance of any new π -conjugation.
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苯、1,3,5,7-环四烯、[18]-环烯、六氟苯及其异构体质谱的衰变序列-离子序列
本研究致力于苯、1,3,5,7-环四烯、[18]-环烯以及六氟苯及其同系物的衰变序列-离子质谱分析结果。苯的光谱中主要抽象基团之间的差异:。H, ch,。c2h c3h3 c4h2。c5h3和六氟苯:F和CF与它们破碎路径的类比相矛盾。在苯的6个π电子中的一个被电离和移除后,它的+。M阳离子自由基产生于相应的激发能和其碳核π -电子共轭重排的五种变体之一。苯的质谱由六个系列的碎片离子组成。第一个系列的离子,包括6个氢原子连续分离形成的+ c6离子,是被激发的+分裂的结果。m1,其中碳循环的现有π共轭被保留,它们的重排不会发生。CH的主要支队。碳氢,碳氢,碳氢,碳氢,还有。c5h3基团的其他五个离子系列证实了这一点。在M苯中,π重排的五种变体分别由6、18和8个系列离子组成,它们的数量对应于这些循环的碳原子数。这种巧合是这样一个事实的结果:在受激发的分子自由基阳离子的分裂过程中,π共轭重排的所有可能的变体都被实现了,当只发生氢原子的抽象时,保留了现有的共轭,也实现了分裂变异。苯的离子系列,1,3,5,7-环四烯c8h8和[18]-环烯c18h18片段没有分支或相交。与苯的六个离子系列相反,六氟苯的断裂形成两个系列,它们的分离顺序不同。其中一个离子系列包括四个氟原子的连续抽象,CF和。生成+ c5离子。另一个,在主要的CF脱离之后,分支,分裂CF脱离和。F.与苯质谱中的离子序列相反,在六氟苯及其同分异构体的谱中,环的π -共轭没有发生重排,因为形成的两个离子序列都不是出现任何新的π -共轭的结果。
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