Silver(ii) triflate with one-dimensional [Ag(ii)(SO3CF3)4/2]∞ chains hosting antiferromagnetism

Silver(II) Fluorosulfate: A Thermally Fragile Ferromagnetic Derivative of Divalent Silver in an Oxa‐Ligand Environment

“…[11] A contribution on related Ag II (SO 3 CF 3 ) 2 will follow shortly. [12] Results and Discussion…”

[Ag(OH2)2][Ag(SO4)2]: A Hydrate of a Silver(II) Salt

“…It shouldb en oted that crystal structure of related high-temperature (HT) form of PdSO 4 can also be regarded as similart o that of AgSO 4 albeit with ah igher structuralo rder as pointed out previously. [19,20,21] This suggestst hat the AgSO 4 hydrate should be structurally more closely related to PdSO 4 .I nf act their primitive cells can be directly compared and av iew along the common a axis reveals the intimate relationo ft he two structures (Figure 4, bottom). The two primitive cells share the same Ag sub-lattice and the main difference between them is the lack of the structuralc onnectivity along b axis in the AgSO 4 hydrate owing to the presence of water molecules.…”

“…[18] The [Ag(SO 4 ) 2 ]s ublattice forms infinite 1D chains [Ag(SO 4 ) 4/2 ] 1 reminiscent of those seen in the crystal structure of relatedAg(SO 3 CF 3 ) 2 (see the Supporting Information). [19] The Ag sublattice deviates somewhatf rom body-centered orthorhombic (see the Supporting Information). The combined heavy-element( AgS) sublattice is close to C-centered monoclinic with two closestA g ÀSs eparations about3 .3 in af orm of an infinite chain kinked at Sa toms (see the Supporting Information).…”

Diamond: Electronic Ground State of Carbon at Temperatures Approaching 0 K

“…The HSE0611, 12 hybrid functional is capable of much more accurate predictions of lattice constants (even for highly anisotropic systems with weak van der Waals (vdW) interactions,13 or with systems exhibiting a shallow potential energy surface, such as those containing the Jahn–Teller‐active species),14 equation of state, bulk modulus, electronic band gap at the Fermi level, energetics and thermodynamics, than the classical local density approximation (LDA) or generalized gradient approximation (GGA) functionals. But, of course, at the cost of elongated CPU time 15.…”