Gas phase enthalpies of formation for aminonitroacetylene, aminonitromethane, and diaminodinitromethane: A Gaussian-4 (G4) theoretical study

Abstract

Gas phase (298.15 K, 1 atm)

109Ag NMR chemical shift as a descriptor for Brønsted acidity from molecules to materials

“…the enthalpy of the release of a proton and formation of the anion in gas phase, Δ H acid (ref. 32)). The obtained values are in good agreement with those obtained in literature ( R 2 = 0.955) (see ESI S6† for further details), enabling comparison of relative acidities for all systems.…”