KEYWORDS : gas phase acidities of 1,2-butadiene and 2-butyne ; heats of formation of anions ; ab initio calculations ; C 4 H 5 Fourier transform ion cyclotron resonance ; gas-phase ion/molecule reactions.
Fragmentation of Collisionally Activated 2-, 4- and 5-Methyl-3-hydroxyphenoxide Anions in the Gas Phase
✍ Scribed by Flechtner, Thomas W.; Winnik, Bozena; Winnik, Witold; Tevesz, Michael J. S.
- Publisher
- John Wiley and Sons
- Year
- 1996
- Tongue
- English
- Weight
- 472 KB
- Volume
- 31
- Category
- Article
- ISSN
- 1076-5174
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✦ Synopsis
Low
-energy collisionally activated dissociation (CAD) of U-deprotonated 2-, 4-and 5-methylresorcinol in the gas phase largely causes fragmentation to form ions analogous to those observed in the CAD spectrum of resorcinol. The anions of the three isomers decompose in processes initiated by the migration of the remaining oxygen-bound hydrogen atom to the adjacent ring carbons. 5-Methylresorcinol also decomposes by the expulsion of the elements of ketene. The mechanisms of these fragmentation processes were studied by the use of both NH, and D,O as deprotonation agents, deuterium labeling of ring carbon atoms and the study of the decomposition pattern of 4,6-dimethyl-2-pyrone.
📜 SIMILAR VOLUMES
High level ab initio MO calculations at the G3(MP2) level of theory were employed to study the molecular structures of SF 2 , FSSF 3 , and SSF 4 , as well as the dimerization of gaseous SF 2 to FSSF 3 and the isomerization of FSSF 3 to SSF 4 . The dimerization of SF 2 was calculated to be an exother