Energetics of Formation and X-ray Crystal Structures of SNSNS(MF6)2 (M = As, Sb), Containing the Lattice-Stabilized, Aromatic, 6.pi. 1,3,4,2,5-Trithiadiazolium(2+) Cation Formed by the Crystal-Lattice-Enforced Symmetry-Allowed Cycloaddition of SN+ and SNS+

Thermochemistry of tetrachalcogen-bis-hexafluoroarsenate salts M4(AsF6)2(M=Se or Te) containing lattice-stabilized cyclic M42+cations

“…The objective of the calorimetric part of this investigation was to determine by fluorine bomb calorimetry the massic energy changes of the reactions of Se 4 (AsF 6 ) 2 and Te 4 (AsF 6 ) 2 with F 2 (g) and, from those quantities, to derive the standard molar enthalpies of formation of the hexafluoroarsenates.…”

“…(1)(2)(3) For example, we have recently shown (3) that the cation S 2+ 8 in S 8 (AsF 6 ) 2 is stabilized in the solid state due to its high lattice energy, (1517 2 36) kJ·mol −1 , deduced from the standard molar enthalpy of formation D f H°m{S 8 (AsF 6 ) 2 } determined by fluorine bomb calorimetry, and ab initio calculations (4) of the energies of S 8 (g) and S 2+ 8 (g). In the gas phase, S …”

Quantum chemical modeling of the thermochemical characteristics and acidity of polynitroazole salts

“…the sum of anionic and cationic volumes). For MX salts (1:1), Bartlett's relationship is widely applicable to calculate enthalpies of formation [5][6][7][8][9][10][11][12]. The dependence of the lattice energy U POT of the M q X p salt from the molecular volume (V m ) can be expressed by the equation:…”

Preference of npπ−npπ Bonding (n = 3, 4) over Purely σ-Bonded Species in M42+ (M = S, Se): Geometries, Bonding, and Energetics of Several M42+ Isomers,

“…This was also shown by inclusion of approximate solvation energies estimated by the Born equation. 18 Using the calculated dimerization energy of 443 kJ/mol for the reaction of 2S 2 + to give S 4 2+ and correcting for energies of solvation by the Born equation, SO 2 solutions of S 4 2+ salts would be expected to contain S 2 + monocations. However, dissolution of S 4 (AsF 6 ) 2 in SO 2 in the presence of a large excess of AsF 5 (to increase the solubility and decrease the polarity of the solvent) followed by recording the solution Raman spectrum only showed bands attributable to the S 4 2+ dication.…”