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Tandem mass spectrometric study of 1,3,5‐trinitrobenzene molecular ion: an unusual ortho effect involving a hydrogen atom from the aromatic ring
Author(s) -
Shukla Anil,
Nicol Gordon,
Futrell Jean
Publication year - 2000
Publication title -
journal of mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 1076-5174
DOI - 10.1002/1096-9888(200007)35:7<885::aid-jms13>3.0.co;2-#
Subject(s) - chemistry , dissociation (chemistry) , ion , tandem mass spectrometry , mass spectrometry , hydrogen atom , collision induced dissociation , ion source , kinetic energy , reaction rate constant , analytical chemistry (journal) , kinetics , organic chemistry , chromatography , alkyl , physics , quantum mechanics
Unimolecular (metastable) and collision‐induced dissociation of 1,3,5‐trinitrobenzene molecular ion was studied using linked scans and mass‐analyzed ion kinetic energy spectrometry on a hybrid instrument of EBEqQ geometry. An unusual ortho effect leading to the loss of OH radical from the parent molecular ion is observed as a unimolecular dissociation process only in the first‐field free region between the ion source and the electric sector, although corresponding dissociation in the ion source is of negligible abundance (<0.1%). This unimolecular process is taken over by other dissociation pathways when the parent ion is collisionally activated, suggesting that this dissociation process occurs only in a very narrow energy window with a rate constant of the order of 2 × 10 5 s −1 . Copyright © 2000 John Wiley & Sons, Ltd.