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Metal/Fluorocarbon Pyrolants: V. Theoretical Evaluation of the Combustion Performance of Metal/Fluorocarbon Pyrolants based on Strained Fluorocarbons
Author(s) -
Koch ErnstChristian
Publication year - 2004
Publication title -
propellants, explosives, pyrotechnics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.56
H-Index - 65
eISSN - 1521-4087
pISSN - 0721-3115
DOI - 10.1002/prep.200400029
Subject(s) - fluorocarbon , trifluoromethyl , chemistry , oxidizing agent , reactivity (psychology) , enthalpy , combustion , metal , fluorine , carbon fibers , computational chemistry , organic chemistry , thermodynamics , materials science , alkyl , composite material , medicine , alternative medicine , physics , pathology , composite number
The potential of strained fluorocarbons, which can act as oxidizers in metal‐based pyrolant systems, is investigated. The oxidizing performance of fluorocarbons is evaluated by the enthalpy of combustion Δ c H (298K) and the fractional electron transfer Δ N. Δ c H (298K) can be related to hybridisation, molar C/F ratio and strain of the parent carbon skeleton of the fluorocarbon. Considered fluorocarbons are tetrafluorotetrahedrane (CF) 4 ( 3 ), tetrakis(trifluoromethyl)tetrahedrane C 4 (CF 3 ) 4 ( 4 ), hexafluoro[3]prismane (CF) 6 ( 5 ), hexakis(trifluoromethyl)[3]prismane C 6 (CF 3 ) 6 ( 6 ), octafluorocubane (CF) 8 ( 7 ), octakis(trifluoromethyl)cubane C 8 (CF 3 ) 8 ( 8 ), eicosafluorododecahedrane (CF) 20 ( 9 ), eicosakis(trifluoromethyl)dodecahedrane C 20 (CF 3 ) 20 ( 10 ), C 60 F 48 ( 11 ) and perfluorofullerane (CF) 60 ( 12 ). Powerful oxidisers in terms of exothermicity are those possessing both tertiary CF‐units and strained carbon skeletons. Nevertheless the reactivity, which is estimated on basis of ΔN , the fraction of electrons transferred according to Pearson, has been found to be high with the corresponding perfluoromethyl derivatives and maximum with the fluorofulleranes. For part IV see Ref. 17.