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Heats of formation of multi‐substituted positive ions of organic species
Author(s) -
Luo YuRan,
An Yan,
Holmes John L.
Publication year - 1994
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.1210291102
Subject(s) - ion , chemistry , standard enthalpy of formation , proton affinity , electron affinity (data page) , affinities , molecule , linear relationship , linear correlation , proton , electron , analytical chemistry (journal) , stereochemistry , organic chemistry , physics , mathematics , statistics , protonation , quantum mechanics
The difference (ΔΔ f H °) between heats of formation of many multi‐substituted odd‐ and even‐electron positive ions can be described by a linear equation: ΔΔ f H ° = A + Bm , where m is the number of substituents or ligands, relative to the unsubstituted reference ion, and m = 1, 2 or 3; A and B are the intercept and slope, respectively. The correlation quality for 59 types of odd‐ and 26 types of even‐electron ions, which involve C, Si, Sn, H, F, Cl, Br, I, O, S, N and P atoms, was analyzed. Unknown heats of formation of related ions and the proton affinities of some organic molecules were predicted using the linear equation.