Gas phase reactions of anions with nitrous oxide and carbon dioxide

Bierbaum, Veronica M.; DePuy, Charles H.; Shapiro, Robert H.

doi:10.1021/ja00459a046

Cited by 79 publications

(46 citation statements)

References 2 publications

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“…SN2 substitution becomes significant in the CH30-/CH30H The mechanisms of the reactions with N 2 0 and CF20 have been reported previously in detail (27,28). The reaction with C P 6 is rationalized in eq.…”

Section: Ion Structuresmentioning

confidence: 60%

Gas phase chemistry of α-thio carbanions

Ingemann¹,

Nibbering²

1984

Can. J. Chem.

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STEEN INGEMANN and NICO M. M. NIBBERING. Can. J. Chem. 62, 2273 (1984. Proton abstraction from CH3SCH3 and C6H5SCH3 in the gas phase has been studied by the use of Fourier Transform Ion Cyclotron Resonance (FI-ICR) mass spectrometry. The gas phase acidity of CH3SCH3 is reported to be AG;~, = 1615 r 8 kJ/mol. The methyl group in C6H5SCH3 is observed to be the most acidic position. The gas phase acidity of this group is determined to be AG;~, = 1560 +. [Traduit par le journal]

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Section: Ion Structuresmentioning

confidence: 60%

Gas phase chemistry of α-thio carbanions

Ingemann¹,

Nibbering²

1984

Can. J. Chem.

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“…[34][35][36][37][38] Note that the precursor complex presents nearly unchanged geometries as compared with the isolated reactants. NPA shows few charges transfer into the C-Cl (CCl 4 ) σ * antibond from the CHBr…”

Section: /Cbr2mentioning

confidence: 99%

CCl₄Activation Mechanisms by Gas-Phase CHBr^•^–and CBr₂^•^–: A Comparative Study

Junxi¹,

Wang²,

Hasi³

et al. 2013

Bulletin of the Korean Chemical Society

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The mechanisms concerning C-Cl activation of CCl4 by CHBr•-and CBr2•-have been comparatively investigated in theory. Optimized geometries and frequencies of all stationary points on PES are obtained at the BhandHLYP/aug-cc-pVTZ level of theory, and then the energy profiles are refined at the QCISD(T) method with the aug-cc-pVTZ basis by using the BhandHLYP/aug-cc-pVTZ optimized geometries. Our calculated findings suggest that in the title reactions the major mechanisms consist of both Cl-abstraction and SN2 substitution reactions. Also, a succeeding pathway described by electron transfer was revealed before the initial Cl-abstraction products separate. Those are consistent with relevant experimental results.

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“…N20 is a versatile neutral reagent for the study of ion-molecule reactions because it reacts in several different ways depending upon the structure of its anionic reaction partner [86,87]. The chemical versatility as well as the fact that large flows of it can be introduced into the flowing afterglow led Depuy and Damrauer to examine its possible utility as a reagent for distinguishing between silyl anions and silicon stabilized carbanions.…”

Section: • +mentioning

confidence: 99%