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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 25, Number 12
BKCSDE 25(12)
December 20, 2004 

Mass Spectroscopical Properties of Benzoyl Derivatives of Five-membered Monoheterocycles and Determination of Aromaticity Indices
Kyu Ok Jeon, Jung Ho Jun, Ji Sook Yu, Chang Kiu Lee*
Heterocycles, Aromaticity indices, Hammett equation, Mass spectral fragments
The mass spectra of benzophenones, 2-benzoylthiophenes, 2-benzoylpyrroles, and 2-benzoylfurans which have substituents at the m- and p-positions of the benzoyl ring were analyzed to find correlations against the Hammett substituent parameter σ and σ+. The slopes of the plots of the intensities of the fragments from the heterocycles against those of the benzene gave sets of meaningful values for the indices of aromaticity of the heterocycles: benzene 1.00; thiophene 0.94, pyrrole 0.82, and furan 0.74.
1840 - 1844
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