Calculations of van der Waals interaction energies for Al, Cr, Fe, and Ir acetylacetonate crystals

Autor:	Igor K. Igumenov, Vladimir R. Belosludov, O. V. Prokuda, P. A. Stabnikov
Rok vydání:	2006
Předmět:	Lattice energy Solid-state physics Vapor pressure Chemistry Crystal structure Inorganic Chemistry symbols.namesake Lennard-Jones potential Materials Chemistry symbols Physical chemistry Sublimation (phase transition) Physical and Theoretical Chemistry van der Waals force Buckingham potential
Zdroj:	Journal of Structural Chemistry. 47:1032-1041
ISSN:	1573-8779 0022-4766
DOI:	10.1007/s10947-006-0422-5
Popis:	Experimental data have been analyzed and interpreted for four volatile acetylacetonates of trivalent metals Al, Cr, Fe, and Ir. The crystal lattice energies were calculated by the atom-atom potential method. The lattice energies obtained by using the Buckingham potential are in better agreement with the sublimation heats of these metal complexes than those calculated from the Lennard-Jones potential. The experimental dependences of vapor pressure for the complexes are in satisfactory agreement with the values obtained from the calculated lattice energies and entropies of crystal-gas transitions.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::5c7115db559b8b514c9ae5f975195c8c https://doi.org/10.1007/s10947-006-0422-5 Zobrazit plný text záznamu Plný text ve formátu PDF