MODELING ENTHALPY AND HYDRATION PROPERTIES OF INORGANIC-COMPOUNDS

Authors
Citation
L. Pogliani, MODELING ENTHALPY AND HYDRATION PROPERTIES OF INORGANIC-COMPOUNDS, Croatica chemica acta, 70(3), 1997, pp. 803-817
Citations number
20
Categorie Soggetti
Chemistry
Journal title
ISSN journal
00111643
Volume
70
Issue
3
Year of publication
1997
Pages
803 - 817
Database
ISI
SICI code
0011-1643(1997)70:3<803:MEAHPO>2.0.ZU;2-I
Abstract
The method of linear combinations of connectivity indices has been app lied to fit the following physicochemical properties of inorganic mole cules: the lattice enthalpies of 32 inorganic compounds, the limiting enthalpies of solution of 12 metal halides, the unfrozen water content , the relative humidity and eutectic temperature of metal chlorides an d the unfrozen water content of a mixed set of amino acids and metal c hlorides. The achieved fit is very satisfactory and it can be normally attained with the help of a single-index linear combination. The obta ined fit draws also a validity test for the delta delta(upsilon) valen ce number of the inorganic compounds and for a newly defined D-Z index based on the number of valence electrons and on the principal quantum number. The fit of the unfrozen water content of the mixed set of ami no acids and metal chlorides, achieved by means of linear combinations of reciprocal connectivity indices can be seen as a first hint far th e construction of a connectivity model encompassing both organic and i norganic compounds.