Abstract
A scheme for calculating generalized mass-spectral characteristics (indices) is suggested. The indices were formed by using a set of parameters determined experimentally: mass numbers (m/z) and intensities of ion peaks (I). Linear correlations of mass-spectral indices with Hammett σ constants are established for several classes of aromatic and heteroaromatic compounds (azo compounds, azomethines, amides, triazenes).
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Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 12, pp. 2073–2077, December, 1993.
This work was supported by the Russian Foundation for Basic Research (Grant 93-03-4424).
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Nekrasov, Y.S., Sukharev, Y.N., Molgacheva, N.S. et al. Generalized characteristics of mass spectra of aromatic compounds and their correlation with the constants of substituants. Russ Chem Bull 42, 1986–1990 (1993). https://doi.org/10.1007/BF00698880
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DOI: https://doi.org/10.1007/BF00698880