caa a22 4500 467919879 CHVBK 20180406152913.0 cr unu---uuuuu 170328e20061001xx s 000 0 eng 10.1007/s00706-006-0533-x doi (NATIONALLICENCE)springer-10.1007/s00706-006-0533-x The Role of Binary and Many-Centre Molecular Interactions in Spin Crossover in the Solid State. Part IV. Ordering in Systems with Many-Body Interactions [Elektronische Daten] [Andrei B. Koudriavtsev, R. F. Jameson, Wolfgang Linert] Summary.: The theoretical formalism of solid-state spin crossover taking into account many-body interactions and ordering has been extended to the case of 5-centre interactions in a diamond lattice leading to the splitting of the free energy levels into quintets. Consecutive simplification of the obtained equations has been achieved for multiplets with regularly varying splittings: the variation according to the polynomial of the third order corresponds to 5-centre interactions; quadratic and linear variations yield the formalisms of quaternary and ternary interactions respectively; equidistant multiplets correspond to the model of binary interactions. These types of variations have been deduced from a simple microscopic model of the influence of the external molecule on the considered interaction. Parameters of the developed formalism have been expressed in terms of binary potentials and relative efficiencies of external molecules. The expressions obtained provided an adequate description of experimental two-step spin crossover curves. The formalism developed in this way was found to be similar, but not identical, to the phenomenological description based on the Landau theory. Odd power terms in composition (not entering the expansion of free energy derived from Landau theory) were found to be generally non-zero and vital for obtaining adequate descriptions of experimental data. Springer-Verlag, 2006 Keywords. Spin crossover nationallicence Many-body interactions nationallicence Ordering nationallicence Koudriavtsev Andrei B. D. Mendeleev University of Chemical Technology of Russia, Moscow, Russia aut Jameson R. F. University of Dundee, Dundee, Scotland, United Kingdom aut Linert Wolfgang Institute of Applied Synthetic Chemistry, Vienna University of Technology, Vienna, Austria aut Monatshefte für Chemie / Chemical Monthly Springer-Verlag 137/10(2006-10-01), 1283-1313 0026-9247 137:10<1283 2006 137 706 https://doi.org/10.1007/s00706-006-0533-x text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s00706-006-0533-x text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Koudriavtsev Andrei B. D. Mendeleev University of Chemical Technology of Russia, Moscow, Russia aut NATIONALLICENCE 700 1- Jameson R. F. University of Dundee, Dundee, Scotland, United Kingdom aut NATIONALLICENCE 700 1- Linert Wolfgang Institute of Applied Synthetic Chemistry, Vienna University of Technology, Vienna, Austria aut NATIONALLICENCE 773 0- Monatshefte für Chemie / Chemical Monthly Springer-Verlag 137/10(2006-10-01), 1283-1313 0026-9247 137:10<1283 2006 137 706 Metadata rights reserved Springer special CC-BY-NC licence nationallicence SWISSBIB 467919070 BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer