title: Prediction of enthalpies of sublimation of high-nitrogen energetic compounds: Modified Politzer model.
abstract: In the framework of the Politzer approach, the improved electrostatic potential model for estimating enthalpies of sublimation of nitrogen-rich energetic compounds is proposed on the basis of reliable experimental enthalpies of sublimation for 185 compounds. The accuracy of predicted values is estimated to be within ±20kJ/mol. The model was applied to estimate the solid phase enthalpies of formation of some tetrazole-, tetrazine-, furazan-, and furoxan-based energetic compounds.
authors.affiliation: Department of Chemistry, Lomonosov Moscow State University, Moscow 119991, Russia.
authors.forename: Marina A
authors.initials: MA
authors.lastname: Suntsova
authors.affiliation: Department of Chemistry, Lomonosov Moscow State University, Moscow 119991, Russia. Electronic address: dorofeeva@phys.chem.msu.ru.
authors.forename: Olga V
authors.initials: OV
authors.lastname: Dorofeeva
mesh_terms: D008958:Models, Molecular; D009584:Nitrogen / Q000737:chemistry*; D017672:Nitrogen Compounds / Q000737:chemistry*; D013816:Thermodynamics
chemical_list: D017672:Nitrogen Compounds; D009584:Nitrogen
keywords: Electrostatic potential model; Energetic compounds; Enthalpy of formation; Enthalpy of sublimation