Spin-Crossover Phenomena of Ni(cyclam)I2 Complex: Magnetostructural Correlations in Two Polymorphs

Yoji Horii; Yuki Kanegae; Kiyonori Takahashi; Akira Fuyuhiro; Hal Suzuki; Motohiro Nakano

doi:10.26434/chemrxiv.7506023.v1

Theoretical and Computational Chemistry

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Spin-Crossover Phenomena of Ni(cyclam)I2 Complex: Magnetostructural Correlations in Two Polymorphs

Working Paper

Yoji Horii Research Center for Structural Thermodynamics, Graduate School of Science, Osaka University ,
Yuki Kanegae ,
Kiyonori Takahashi ,
Akira Fuyuhiro ,
Hal Suzuki ,
Motohiro Nakano

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Abstract

Two crystal polymorphs of Ni(cyclam)I₂ (cyclam = 1,4,8,11-

tetraazacyclotetradecane) were identified by X-ray structural analysis and their magnetic properties were investigated. Gradual spin-crossover behaviors were found in both polymorphs. Entropy differences between high- and low-spin states obtained by assuming the spin equilibrium model reflected subtle difference of the coordination environment of nickel(II) ion in two polymorphs.