Investigation of reactive intermediates of chemical reactions in solution by electrospray ionization mass spectrometry: Radical cation chain reactions

Angewandte Chemie - International Edition

Volumn 42, Issue 38, 2003, Pages 4700-4703

  Meyer, Sven ^a   Koch, Rainer ^a   Metzger, Jürgen O ^a  

^a UNIVERSITY OF OLDENBURG   (Germany)

Author keywords

Cycloadditions; Mass spectrometry; Microreactors; Radical ions; Reactive intermediates

Indexed keywords

IONIZATION; MASS SPECTROMETRY;

TRANSIENT RADICALS;

CHEMICAL REACTIONS;

ANETHOLE; CATION; CHEMICAL COMPOUND; RADICAL; REACTIVE INTERMEDIATE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL REACTION; CYCLOADDITION; DIMERIZATION; DISSOLUTION; MASS SPECTROMETRY; MICROREACTOR; ONLINE SYSTEM; REACTOR;

EID: 0142119330     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200352044     Document Type: Article

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18. -1. When the microreactor is connected directly to the spray capillary, reaction times from 0.7 to 28 s can be covered.
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21. See Supplementary Information.
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25. All geometries were optimized spin-unrestricted at the B3LYP6-31G(d) level of theory. No spin contamination was observed. Unrestricted MP2/6-311 + G(d, p) single-point energies, based on the DFT geometries, are even more reliable; however, no significant deviations were found. The calculations employed the program package Gaussian 98 and NBO 3.1 included therein.