Rearrangements and fragmentations of metastable [C13H9S]+, [C14H11]+, [C13H11]+ and [C8H7S]+ ions
β Scribed by Marcel Rietjens; Drewes Oudman; Wilke D. Weringa
- Publisher
- John Wiley and Sons
- Year
- 1990
- Tongue
- English
- Weight
- 334 KB
- Volume
- 25
- Category
- Article
- ISSN
- 1076-5174
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β¦ Synopsis
Abstract
[C~13~H~9~S]^+^, [C~14~H~11~]^+^, [C~13~H~11~]^+^ and [C~8~H~7~S]^+^ ions with unknown structures were generated from two [C~14~H~12~S]^+Β·^precursor ions by fragmentation reactions that must be preceded by extensive rearrangements. Ions with the same compositions, each with several initial structures, were prepared by simple bondβbreaking reactions. Metastable characteristics were compared for each of the four types of ions. It was found than in all cases fast isomerization reactions occur prior to fragmentation, so that no information about the unknown ion structures could be obtained by comparison of the observed fragmentations of metastable ions.
π SIMILAR VOLUMES
Several [ C,H,OS] + ions with different structures were generated from the appropriate precursors and their metastable ion spectra were determined. Deuterium labelled analogues of some of the I C,H,OS) + ions were used to elucidate the nature of the observed fragmentations and their mechanisms. IC,H
## Abstract The calculated difference in the standard heat of formation Ξ Ξ~f~HΒ°(298.15) of __n__β and __i__βC~4~__H__~3~^β’^ free radicals is 37.9 kJ mol^β1^ for G3MP2B3 and 45.0 kJ mol^β1^ for CCSD(T)βCBS (W1U) calculations, which seems to preclude the direct evenβcarbon radical pathway to benzene