To Thomes Gaisford

Newman, John Henry; Dessain, Charles Stephen; Kelly, S.J. Edward E.

doi:10.1093/oseo/instance.00152897

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“…It has been shown that this form gives a good description of the contribution of the lattice vibrations to the zfs parameters [33]. The phenomenological superposition model [22,[28][29][30][31] provides a simple way of relating the D s zfs parameter to the structure of environment of S-state ions, e.g. Mn 2+ .…”

Section: Superposition Model Analysismentioning

confidence: 99%

“…On the basis of equations ( 9) and ( 10), large and positive t 2 -values in the power-law approximation of the Lennard-Jones potential are expected for a relatively loose fit when the host ion is larger that the substituting spin probe; in the opposite case of a tight fit small (or even negative) t 2 would rather be observed [22]. In the present instance, the t 2 -values found in the two spin states of Fe 2+ are in agreement with this tendency, as far as the mismatch between its ionic radii and that of the spin probe is more pronounced in the LS state.…”

Section: Structural Inferencesmentioning

confidence: 99%

“…Here we focus on the temperature dependence of the EPR spectra of the phase I (naturally doped with Mn 2+ ions) in relationship with the temperature dependence of the unit cell parameters. The Newman superposition model [22] is applied in order to relate the zfs parameters with the crystal structure.…”

Section: Introductionmentioning

confidence: 99%

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Spin transition in [Fe(PM-BiA)₂(NCS)₂] studied by the electron paramagnetic resonance of the Mn²⁺ion

Daubric¹,

Kliava²,

Guionneau

et al. 2000

J. Phys.: Condens. Matter

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The spin transition of Fe2+ ions in the mononuclear compound cis-bis(thiocyanato)-bis(N-2'-pyridylmethylene)-4-(aminobiphenyl)-iron(II) is studied by electron paramagnetic resonance (EPR) of Mn2+. In cooling the compound down to the temperature range 174-168 K, the Fe2+ ions undergo a complete transition from the high spin (HS, S = 2) to the low spin (LS, S = 0) state, occurring with a narrow, ~5 K and unusually sharp hysteresis loop. The temperature dependence of the unit cell parameters is almost linear on both sides of the spin transition; the variation of the unit cell parameters at the spin transition is very anisotropic. The EPR spectra, typical of the Mn2+ ion, only gradually change with temperature in the two spin states of Fe2+ but undergo a striking transformation in the spin transition range. This shows that a considerable cooperativity exists between the metal ions. Computer simulations using a laboratory-developed simulation program indicate significant changes in the zero-field splitting (zfs) parameters in the course of the spin transition. Lower-than-axial symmetry of the environment of Mn2+ persists in both spin states of Fe2+; however, a stronger axial distortion arises in the HS state. The temperature variations of the zfs parameter D are related to transformations of the crystal structure using the Newman superposition model amended for contributions of thermal expansion of the crystal lattice and lattice vibrations. Computer fits show a reduction of the model parameter - power law exponent - in the LS state, t2 = 4, in comparison with the HS state, t2 = 8. Such a tendency is consistent with the decrease of the Fe-N bond lengths in the HS to LS transition.

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Section: Superposition Model Analysismentioning

confidence: 99%

Section: Structural Inferencesmentioning

confidence: 99%

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Spin transition in [Fe(PM-BiA)₂(NCS)₂] studied by the electron paramagnetic resonance of the Mn²⁺ion

Daubric¹,

Kliava²,

Guionneau

et al. 2000

J. Phys.: Condens. Matter

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Spin transition in [Fe(PM-BiA)₂(NCS)₂] studied by the electron paramagnetic resonance of the Mn²⁺ion

Spin transition in [Fe(PM-BiA)₂(NCS)₂] studied by the electron paramagnetic resonance of the Mn²⁺ion

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To Thomes Gaisford

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Spin transition in [Fe(PM-BiA)2(NCS)2] studied by the electron paramagnetic resonance of the Mn2+ion

Spin transition in [Fe(PM-BiA)2(NCS)2] studied by the electron paramagnetic resonance of the Mn2+ion

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Spin transition in [Fe(PM-BiA)₂(NCS)₂] studied by the electron paramagnetic resonance of the Mn²⁺ion

Spin transition in [Fe(PM-BiA)₂(NCS)₂] studied by the electron paramagnetic resonance of the Mn²⁺ion