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Garcia Y, Bravic G, Gieck C, et al. Crystal structure, magnetic properties, and 57Fe Mössbauer spectroscopy of the two-dimensional coordination polymers [M(1,2-bis(1,2,4-triazol-4-yl)ethane)2(NCS)2] (MII = Fe, Co). Inorg Chem. 2005;44(26):9723-30doi: 10.1021/ic050971l.
Garcia, Y., Bravic, G., Gieck, C., Chasseau, D., Tremel, W., & Gütlich, P. (2005). Crystal structure, magnetic properties, and 57Fe Mössbauer spectroscopy of the two-dimensional coordination polymers [M(1,2-bis(1,2,4-triazol-4-yl)ethane)2(NCS)2] (MII = Fe, Co). Inorganic chemistry, 44(26), 9723-30. https://doi.org/10.1021/ic050971l
Garcia, Yann, et al. "Crystal structure, magnetic properties, and 57Fe Mössbauer spectroscopy of the two-dimensional coordination polymers [M(1,2-bis(1,2,4-triazol-4-yl)ethane)2(NCS)2] (MII = Fe, Co)." Inorganic chemistry vol. 44,26 (2005): 9723-30. doi: https://doi.org/10.1021/ic050971l
Garcia Y, Bravic G, Gieck C, Chasseau D, Tremel W, Gütlich P. Crystal structure, magnetic properties, and 57Fe Mössbauer spectroscopy of the two-dimensional coordination polymers [M(1,2-bis(1,2,4-triazol-4-yl)ethane)2(NCS)2] (MII = Fe, Co). Inorg Chem. 2005 Dec 26;44(26):9723-30. doi: 10.1021/ic050971l. PMID: 16363841.
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Inorg Chem. 2005 Dec 26;44(26):9723-30. doi: 10.1021/ic050971l.

Crystal structure, magnetic properties, and 57Fe Mössbauer spectroscopy of the two-dimensional coordination polymers [M(1,2-bis(1,2,4-triazol-4-yl)ethane)2(NCS)2] (MII = Fe, Co).

Inorganic chemistry

Yann Garcia, Georges Bravic, Christine Gieck, Daniel Chasseau, Wolfgang Tremel, Philipp Gütlich

Affiliations

  1. Unité de Chimie des Matériaux Inorganiques et Organiques, Département de Chimie, Faculté des Sciences, Université Catholique de Louvain, Place L. Pasteur 1, 1348 Louvain-la-Neuve, Belgium. garcia@ chim.ucl.ac.be

PMID: 16363841 DOI: 10.1021/ic050971l

Abstract

New coordination polymers of the formula [M(btre)(2)(NCS)(2)] (btre = 1,2-bis(1,2,4-triazol-4-yl)ethane; M(II) = Fe, Co) have been synthesized, and their crystal structures have been determined at 293 K by X-ray analysis. The Fe(II) compound (C(7)H(8)FeN(7)S(2)) crystallizes in the monoclinic space group P2(1)/n, a = 12.439(5) A, b = 8.941(2) A, c = 9.321(3) A, beta = 90.88(2) degrees , V = 1036.6(6) A(3), Z = 2, 3791 reflections [I > 3sigma(I)], R(F) = 0.036, wR2 = 0.123. The Co(II) compound is isostructural to the Fe(II) compound. The crystal structure consists of a 2D sheet in which the metal ions are linked by bis monodentate (N1, N1') 1,2,4-triazole ligands. The structure is stabilized by pi-bond interactions between two adjacent sheets and by S...S interactions. Temperature-dependent SQUID, (57)Fe Mössbauer, and X-ray diffraction measurements indicate that [Fe(btre)(2)(NCS)(2)] retains a HS ground state upon cooling from 293 K down to 8 K. The surprising absence of spin-crossover behavior for this Fe(II)-1,2,4-triazole polymeric coordination compound that has been confirmed by pressure experiments up to approximately 12 kbar and by light irradiation experiments at 10 K is discussed on the basis of its structural features. Insight into the origin of the cooperative effects of the spin transition in [Fe(btr)(2)(NCS)(2)].H(2)O (btr = 4,4'-bis-1,2,4-triazole) is also given thanks to a re-evaluation of its distortion parameters in the high- and low-spin states.

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