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SM ISO690:2012 OSTROVSKY, Sergei M., PALII, Andrew, KLOKISHNER, Sophia I., SHATRUK, Michael M., DUNBAR, Kim, TSUKERBLAT, Boris S.. CMT 14 P A model of spin crossover in Co(III)2Fe(II)3 cluster compound. In: Materials Science and Condensed Matter Physics, 13-17 septembrie 2010, Chișinău. Chișinău, Republica Moldova: Institutul de Fizică Aplicată, 2010, Editia 5, p. 65. |
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Materials Science and Condensed Matter Physics Editia 5, 2010 |
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Conferința "Materials Science and Condensed Matter Physics" Chișinău, Moldova, 13-17 septembrie 2010 | ||||||
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Pag. 65-65 | ||||||
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A model of spin crossover in crystals containing pentanuclear clusters [CoIII(CN)6]2[FeII(tmphen)2]3 with a trigonal bipyramidal structure as structural units is presented. The model takes into consideration the spinorbital coupling operating within the cubic ( 4 2 ) 2 2 5T t e term of the hs-FeII ions and ( 5 ) 2 2 2T t term of the ls-FeIII ions. The cooperative nature of the phenomenon is attributed to longrange electron-deformational interaction via the field of accoustic phonons and short-range interaction via the optic phonon field. The interplay between short- and long-range interactions is shown to determine the gradual type of the spin-crossover transition in the titled compound. A new method of estimation of the parameter of electrondeformational interaction in spin-crossover compounds is suggested. The method takes into account the elongation of the Fe-N bonds when passing fron the ls 1A1 ( 6 2 t ) state to the hs 5T2 ( 4 2 2t e ) state of the FeII ions. The developed model explains the static magnetic susceptibility and temperature dependence of the Mössbauer spectra (Fig.1) of the FeII 3CoIII 2 compound. Quite good agreement with the experimental data is observed. |
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The model takes into consideration the spinorbital coupling operating within the cubic ( 4 2 ) 2 2 5T t e term of the hs-FeII ions and ( 5 ) 2 2 2T t term of the ls-FeIII ions. The cooperative nature of the phenomenon is attributed to longrange electron-deformational interaction via the field of accoustic phonons and short-range interaction via the optic phonon field. The interplay between short- and long-range interactions is shown to determine the gradual type of the spin-crossover transition in the titled compound. A new method of estimation of the parameter of electrondeformational interaction in spin-crossover compounds is suggested. The method takes into account the elongation of the Fe-N bonds when passing fron the ls 1A1 ( 6 2 t ) state to the hs 5T2 ( 4 2 2t e ) state of the FeII ions. The developed model explains the static magnetic susceptibility and temperature dependence of the Mössbauer spectra (Fig.1) of the FeII 3CoIII 2 compound. Quite good agreement with the experimental data is observed.<br />figure<br />Fig.1. Mössbauer spectra for FeII 3CoIII 2 complex calculated at T=5 and 300K with the set of the best fit parameters (thick solid lines).<br />Financial support of the STCU (project N5062) is highly appreciated. B.T. and K.D. gratefully acknowledge financial support from the BSF (grant 2006498). 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