Coordination Polymers of Scandium Sulfate. Crystal Structures of (H2Bipy)[Sc(H2O)(SO4)2]2 · 2H2O and (H2Bipy)[HSO4]2

Abstract

Compounds with the general formula Cat x [Sc(H 2 O) z (SO 4 ) y ] · nH 2 O (Cat = NH 4 , H 2 Bipy (Bipy is 4,4'-bipyridine), and HEdp (Edp is ethylenedipyridine) are synthesized and identified by elemental analysis and IR spectral data. The X-ray diffraction analysis of (H 2 Bipy)[Sc(H 2 O)(SO 4 ) 2 ] 2 · 2H 2 O shows that in the structure of this compound, the chains of ScO 6 octahedra and SO 4 tetrahedra are united to form ribbons due to the tridentate coordination of the sulfate ion. The ribbons form a framework, whose infinite cavities contain H 2 Bipy 2+ cations.

Phase-Change Absorption of SO2 by N,N,N′,N′-Tetramethyl-p-phenylenediamine in Organic Solvents and Utilization of Absorption Product

“…Relevant details regarding the [H 2 TPD]­[HSO 4 ] 2 crystal structure are presented in Table S1. It should also be noted here that Petrosyants et al previously reported the structure of [H 2 Bipy]­[HSO 4 ] 2 (Bipy = 4,4′-bipyridine), whose atomic arrangement is similar to that of [H 2 TPD]­[HSO 4 ] 2 . We therefore proposed that the formation of [H 2 TPD]­[HSO 4 ] 2 may occur due to the reaction of TPD, SO 2 , H 2 O, and O 2 , the latter two of which originate from the air.…”

“…44,45 In addition, elemental analysis implied that the crystal was [H 2 TPD][HSO 4 ] 2 , since its experimental C, H, N, and S contents of 33.69%, 5.76%, 8.39%, and 18.00%, respectively, corresponded with the theoretical values of 33.33%, 5.59%, 7.77%, and 17.79% (see Table 1). Indeed, the single crystal XRD results further confirmed this assumption, as the asymmetric unit of [H 2 TPD][HSO 4 ] 2 contained one half-cation and one hydrogen sulfate anion, which constitutes half of the molecular formula (see Figure 4a 46 We therefore proposed that the formation of [H 2 TPD][HSO 4 ] 2 may occur due to the reaction of TPD, SO 2 , H 2 O, and O 2 , the latter two of which originate from the air. However, the reaction rate for this transformation was extremely slow, with the crystals appearing after almost 1 month, as mentioned previously.…”

Chemical bonding effects in Sc compounds studied using X-ray absorption and X-ray photoelectron spectroscopies

“…17 In ScBr 3 , ScCl 3 and compounds with complex ligands no other peaks are observed above 4 Å due to the less ordered or even amorphous structures present. [38][39][40][41][42] Thereafter, each EXAFS data was fitted to the known structure in the R range between 1.5 and 3.5 Å taking into account the first coordination shell in O h coordination with the corresponding ligand. For Sc metal, ScF 3 and Sc 2 O 3 second coordination shells were included to achieve finer fitting.…”

Structural Properties of the Acidification Products of Scandium Hydroxy Chloride Hydrate

“…Of the 40 Sc structures reported that contain a “SO 3 ” moiety, all possess an organic fragment and the majority are salts, either (i) a fully hydrated Sc cation with an outer-sphere [RSO 3 ] − anion {i.e., [Sc­(H 2 O) n ]­[L] [L = C­(SO 3 CF 3 ) 3 , n = 7; O 3 SCF 3 , n = 8 n = 9]} or (ii) a -OH bridge dinuclear hydrated cation with an outer-sphere [RSO 3 ] − counteranion {i.e., [(H 2 O) 5 Sc­(μ-OH)] 2 [SO 3 R]·H 2 O where R = C 6 H 5 , , (O 3 SCF 2 ) 2 CF 2 , or bipyridinium}. Other structures are also reported, including a methylsulfonate species [Sc­(μ-OH)­(O 3 SCH 3 ) 2 ] n , polymeric chains of Sc 2 (SO 4 ) 3 with organic cations (guanidinium or hexamethylenediammonium), and the homosulfate [Sc 2 (SO 4 ) 3 ] n isolated from a NaCl melt.…”