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Analysis of the H-bridge in Carboxyllic Acids in Terms of Stabilization Energy Derived from Bond Lengths. Non-Hammett Properties of p-Substituted Benzoic Acids in the Crystalline State

Tadeusz M. Krygowski ; Department of Chemistry, University of Warsaw, 02 093 Warsaw ul. Pasteura 1, Poland
Tadeusz Wieckowski ; Department of Chemistry, University of Warsaw, 02 093 Warsaw ul. Pasteura 1, Poland

Sažetak

Harmonic oscillator stabilization energy (HOSE) is defined as
the negative value of deformation energy necessary to transform
a molecule from its natural geometry to its Kekule structure with
purely single and double bonds. It was found that HOSE-values for
dimers of carboxylic acids with centrosymmetric hydrogen bonds
are well related (correlation coeff. r = 0.972) to the Ro . . . o distances
for 19 species for which measurements were carried out in both
the crystalline and gaseous states. Stability of many other Jt-
systems, e. g. aromatic and unsaturated hydrocarbons, polymethine
systems (e.g. cyanine dyes), EDA-complexes, quinoid systems, etc.
are successfully described in terms of HOSE-values.

Ključne riječi

Hrčak ID:

194336

URI

https://hrcak.srce.hr/194336

Datum izdavanja:

20.7.1981.

Posjeta: 468 *