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Low-Temperature Structure of [Fe(ptz) 6 ](BF 4 ) 2 –Determination by Synchrotron-Radiation X-ray Powder Study–

2002; Physical Society of Japan; Volume: 71; Issue: 4 Linguagem: Inglês

10.1143/jpsj.71.1015

1347-4073

Yutaka Moritomo, Kenichi Kato, Akio Nakamoto, Norimichi Kojima, Eiji Nishibori, Masaki Takata, Makoto Sakata,

Metal complexes synthesis and properties

Temperature dependence of atomic coordinates is precisely determined for an iron (II) complex, [Fe(ptz) 6 ](BF 4 ) 2 (ptz = propyltetrazole), by means of synchrotron-radiation (SR) x-ray powder diffraction measurements. The spin state of the Fe 2+ ions is known to change from high-spin (HS; S = 2) to low-spin (LS; S = 0) with a decrease in temperature to below T c ≈130 K. We have found that the spin state transition accompanies a significant contraction of the Fe–N4 bond distance from ≈ 2.20 Å (HS) to ≈ 2.00 Å (LS).