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Metastable ion characteristics. III. Structures of C3H6O.+ ions in the mass spectra of aliphatic ketones

โœ Scribed by McLafferty, Fred W.; Pike, William T.

Book ID
126290835
Publisher
American Chemical Society
Year
1967
Tongue
English
Weight
250 KB
Volume
89
Category
Article
ISSN
0002-7863

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## MNDO calculations of [C3H ,0]+' predict the parallel existence of both structures of radical cations of acetone (1) and propen-2-01 (2) in electron ionization spectra. The calculated heats of formation of 1+' (A@"Do = 783.2 kJ mol-' and of 2" (AflNDo = 649.8 kJ mol-') are in very good agreement