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Spectrum Fragmentation of 10,11-Dihydro-5H-Dibenzo[a,d]cyclohepten-5-one

Domenii publicaţii > Chimie + Tipuri publicaţii > Articol în revistã ştiinţificã

Autori: M.D.Stanescu,N.Dinca,E.Sisu

Editorial: Rev. Roum. Chim., 51(7-8), p.669-673, 2006.


The dibenzo[a,d]cycloheptene skeleton is of importance taking into account the presence of this moiety in different
compounds having theoretical or practical interest. A key intermediate in the synthesis of such compounds is 10,11-
dihydro-5H-dibenzo[a,d]cyclohepten-5-one. The study of the MS fragmentation of this ketone may give information
about the possible fragmentation of similar compounds. The central seven-member ring leads to a different MS
fragmentation pattern, compared with the simple dibenzylic ketone (benzophenone). The formation energy (ΔHf) of
the molecules and ions resulted during fragmentation have been calculated by the semi-empirical methods AM1,
using the package of programmes HyperChem 5.11.

Cuvinte cheie: seven-member ring,formation energy,semi-empirical methods,mass spectrometry