Approval of the random-mutual-orientation statistics index as a basis for searching for "structure-property" relationships in coordination compounds

A. A. Toropov, A. P. Toropova, N. L. Voropaeva, I. N. Ruban, S. Sh Rashidova

Research output: Contribution to journalArticlepeer-review

Abstract

Results are presented of comparing the thermodynamic properties of the bivalent metal aquo and amino complexes (gaseous state, T = 18°C) of general formula [MLm]2+ (M = Cu, Ni, Mg, Ca, Sr, Ba, Zn, Mn, Fe, Co, and Be; L = H2O and NH3; m = 2, 4, and 6) with the structural index, which is calculated by simulating the random mutual orientations of the steric models of these compounds. For the aquo complexes, the correlations between the heats of formation from elements and the index are found for the structural classes specified by the coordination numbers 2, 4, and 6; the coefficients of correlation r are -0.983, -0.979, and -0.985, respectively. The general correlation relationship between the index and the heat of formation from gaseous M and L is obtained for the amino complexes (n = 16, r = 0.987, σ = 7%).

Original languageEnglish
Pages (from-to)578-580
Number of pages3
JournalRussian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya
Volume22
Issue number8
Publication statusPublished - Aug 1996

ASJC Scopus subject areas

  • Inorganic Chemistry

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