Crystal structure of Bis(2,2':6',2''-terpyridyl)cobalt(II) iodide dihydrate at 295 K and at 120 K

Abstract

The crystal structure of the title compound, [CO(C15H11N3)2] 12.2H2O, has been determined by single crystal X-ray diffraction methods at 295 K and at 120 K, being refined by least squares to residuals of 0.051 and 0.035 respectively for 982 and 1024 'observed' reflections at these temperatures. Both structures are based on a P42/n tetragonal cell, a c. 8.9, c c. 19.4 �, Z 2, in which only a quarter of the cation is independent, being located about a site of 4 symmetry. At room temperature (μoff c. 3.2 BM) Co-N (central, distal) are 1.942(7), 2.104(5) � diminishing to 1.912(5), 2.083(4) � at 120 K, with μoff c. 2.2 BM, corresponding to a fully populated low-spin ground state.

Spin crossover in Co(ii) metallorods – replacing aliphatic tails by aromatic

“…In both complexes, the cation array within the sheets must be largely determined by interactions with the adjacent sheets of anions (and solvent) and it is unclear, in a quantitative sense, how important any aromatic-aromatic interactions may be as a bonding factor (especially as, in these two cases, the anion-solvent interactions lead to cation bridging) but it is useful to consider stacking arrays as a possible pathway to spin-spin interactions. 49 Assuming any delocalised spin density would be more likely to be found on the ring atoms rather than their attached hydrogen atoms, edge-to-face (EF) CH⋯C contacts are ignored, though it may be noted that in terms of a 3 Å limit, they appear generally to be very limited in number. Nonetheless, such interactions have been considered as the possible origin of a minor anomaly in the temperature dependence of the susceptibility of [Co(tpy) 2 ](BF 4 ) 2 .…”

Crystal structure of bis(2,2':6',2'-terpyridine)zinc(II) dinitrate dihydrate, [Zn(C15H11N3)2][NO3]2 · 2H2O

“…Meanwhile notably, 2,2¢:6¢,2²-terpyridine-based metal complexes have been used in this regard as well as in molecular devices and antitumor reagents [2][3][4]. In the present article, the structure of a stable zinc complex with two disordered nitrate ions and two water molecule is described.…”

Modeling Transition Metal Complexes in the Framework of the Spin-Crossover Phenomenon: A DFT Perspective

“…These results agree well with the known magnetic behavior of the two complexes: [Co(bpy) 3 ] 2+ is usually a HS species and it can be turned into a spin-crossover complex only in tightly confining environments such as those provided by the supercages of zeolite Y [240][241][242] or by the cavities of three-dimensional oxalate networks [243,244]. As for [Co(tpy) 2 ] 2+ , it is a spincrossover complex whose magnetic behavior is strongly sensitive to its environment [245][246][247][248][249][250][251][252][253][254][255][256][257][258].…”