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Ionization energies of homologous organic compounds and correlation with molecular size
Author(s) -
Holmes J. L.,
Lossing F. P.
Publication year - 1991
Publication title -
organic mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 0030-493X
DOI - 10.1002/oms.1210260603
Subject(s) - ionization , homologous series , correlation , organic molecules , chemistry , materials science , analytical chemistry (journal) , environmental chemistry , molecule , organic chemistry , ion , mathematics , geometry
The empirical relationship IE ∝ 1/ n , between the ionization energy ( IE ) and molecular size (as represented by the number of atoms, n ) in homologous series of organic compounds has been confirmed for n ‐alkanes, alkyl halides, cyclic ethers and alkyl‐subsiituted cycloalkanes. For each series, the plot of IE vs. 1/ n produces a line of characteristic slope. The only exception is the cycloalkanes themselves, whose IE values (from C 3 to C 8 ) are closely similar. The possible relationship between the IE , the polarizability of the molecules and the energy of the highest occupied molecular orbital is briefly discussed.