Microscopic Approach to the Problem of Cooperative Spin Crossover in Polynuclear Cluster Compounds: Application to Tetranuclear Iron(II) Square Complexes
Închide
Conţinutul numărului revistei
Articolul precedent
Articolul urmator
256 0
SM ISO690:2012
OSTROVSKY, Sergei M.; PALII, Andrew; DECURTINS, Silvio; LIU, Shixia; KLOKISHNER, Sophia I.. Microscopic Approach to the Problem of Cooperative Spin Crossover in Polynuclear Cluster Compounds: Application to Tetranuclear Iron(II) Square Complexes. In: Journal of Physical Chemistry C. 2018, nr. 38(122), pp. 22150-22159. ISSN -.
10.1021/acs.jpcc.8b05599
EXPORT metadate:
Google Scholar
Crossref
CERIF
BibTeX
DataCite
Dublin Core
Journal of Physical Chemistry C
Numărul 38(122) / 2018 / ISSN - /ISSNe 1932-7447

Microscopic Approach to the Problem of Cooperative Spin Crossover in Polynuclear Cluster Compounds: Application to Tetranuclear Iron(II) Square Complexes


DOI: 10.1021/acs.jpcc.8b05599
Pag. 22150-22159

Ostrovsky Sergei M.1, Palii Andrew12, Decurtins Silvio3, Liu Shixia3, Klokishner Sophia I.1
 
1 Institute of Applied Physics,
2 Institute of Problems of Chemical Physics, Russian Academy of Sciences,
3 University of Bern
 
Disponibil în IBN: 5 decembrie 2018


Rezumat

A new microscopic approach to the problem of cooperative spin crossover in molecular crystals containing polynuclear complexes as structural units has been developed. The cooperative intercluster interaction in the crystal is shown to arise from the coupling of the molecular modes to the acoustic phonons. The interaction between ions, which belong to the same cluster, is also taken into account, that leads to interesting features in the temperature dependence of the magnetic susceptibility, which are not observed in mononuclear molecular crystals. The developed general approach is adapted to the case of tetranuclear square complexes. In the latter, the effect of intracluster interactions on the type of the spin transition is analyzed. The applicability of the developed approach is illustrated by the interpretation of the experimental data on the spin transition in the tetranuclear [Fe(tpa){N(CN)2}]4·(BF4)4·(H2O)2 cluster compound. For this compound, the theory well reproduces the observed two-step spin transition with the plateau between the steps that corresponds to the cluster configuration with two high-spin Fe(II) ions located along the diagonal of the square.

Cuvinte-cheie
magnetic susceptibility, Temperature distribution,

Molecular crystals