Synthesis, Crystal Structure, Magnetism, Band Structure and Density of States of [C6H18N3]ClCoCl4

Abstract

The crystal structure of [1-(2-aminoethyl) piperazinium] choride trachloridocobaltate (II): [C 6 H 18 N 3 ] ClCoCl 4 has been synthesized and analyzed by X-ray diffraction. Magnetization was used to investigate the magnetic properties. The salt crystallizes at room temperature in the monoclinic system with space group P2 1 , the unit cell dimensions are: a = 7.2113 Å, b = 12.4844 Å, c = 8.0554 Å, β = 97.274 • with Z = 2. The crystal structure of this salt was solved by Patterson methods and refined by full-matrix least squares on F 2 to final values of R = 0.0361 and wR = 0.0701. The structure consists of monomeric triprotonated [1-(2-aminoethyl) piperazinium] cations, monomeric CoCl 2− 4 and Cl − anions. These entities are interconnected by means of hydrogen bonding contacts forming a threedimensional network. The magnetic measurements experimentally show a deviation from the Curie-Weiss law at low temperatures, which reveals the occurrence of weak ferromagnetism at low temperature. The measurements of isothermal magnetics at low temperature show a weak hysteresis, which was confirmed by the small coercive field found at low temperature. In addition, self-consistent ab initio calculations, based on FLAPW method (Wien2k code), are performed to investigate magnetic, electronic properties and crystal structure, of [1-(2-aminoethyl) piperazinium] choride trachloridocobaltate(II). Spins polarized within the framework of the Coherent Potential Approximation (CPA) are considered.

Crystal Structure and Magnetic Property Studies of a Novel Hybrid Compound (C6H16N2) CoCl4

“…Table 4 shows the variation of experimental effective moment as a function of magnetic field. The observed decrease in effective magnetic moment is due to the spinorbit coupling [2] The similar behavior is observed by Issaoui et al [4]. To investigate other magnetic effects, the (Fig.…”

“…Treatment of 1-(2aminoethyl) pyrrolidine (C 6 H 14 N 2 ) with CoCl 2 ·6H 2 O in aqueous solution gives the organicinorganic hybrid ionic compound (C 6 H 16 N 2 ) CoCl 4 The asymmetric unit of (C 6 H 16 N 2 ) CoCl 4 is constituted by isolated monomeric tetrachloro cobaltat(II) and independent 1-(2aminoethyl) pyrrolidinium cations linked via N-H. . .…”

“…2). In the title compound, the mean plan 4 112,85(7) Cl 3 − Co − Cl 4 110,31(7) Table 3 reports the main geometrical features of (C 6 H 16 N 2 ) 2+ .…”

The Coordination Behavior of Two New Complexes, [(C7H10NO2)CdCl3]n(I) and [(C7H9NO2)CuCl2] (II), Based on 2,6-Dimethanolpyridine; Elaboration of the Structure and Hirshfeld Surface, Optical, Spectroscopic and Thermal Analysis

“…Coordination compounds based on aromatic acids have sparked huge interest due to their fascinating geometrical properties as well as their intriguing applications in a variety of fields, such as the fields of catalysis, gas storage, and biochemistry. Additionally, this family of materials has contributed significantly to our knowledge of low-dimensional magnetic systems and semiconductor materials [1][2][3][4][5][6][7][8][9][10][11].…”

Structural, magnetic and vibrational characterization of the new organic-inorganic hybrid material, (C9H14N)2CoCl4

“…Recently, much attention was paid to the magnetic properties of hybrid compound based on transition metal (e.g. Cu, Co and Mn) halide [14][15][16]. In contrast, the hybrids based on cobalt halide possess good solubility and stability.…”