Formation, thermal decomposition and atmospheric implications of the CF 2 (OH)CF 2 OONO 2 and CF 3 CF 2 OONO 2 peroxynitrates. A theoretical study
نویسندگان
چکیده
منابع مشابه
cf 2 Semantics Revisited 1
Abstract argumentation frameworks nowadays provide the most popular formalization of argumentation on a conceptual level. Numerous semantics for this paradigm have been proposed, whereby cf2 semantics has shown to nicely solve particular problems concernend with odd-length cycles in such frameworks. In order to compare different semantics not only on a theoretical basis, it is necessary to prov...
متن کاملPacking conflicts in the Z' = 5 structure of CF(3)(CF(2))(3)(CH(2))(10)COOH.
Dimers of the partially fluorinated amphiphile 1-(perfluorobutyl)undecanoic acid, CF(3)(CF(2))(3)(CH(2))(10)COOH, crystallize in the same basic packing arrangement found for many n-alkyl carboxylic acids. The unit cell of the fluorinated compound, however, contains five independent molecules rather than the one found for most n-alkyl carboxylic acids including CH(3)(CH(2))(13)COOH. The structur...
متن کاملA conformational and vibrational study of CF(3)COSCH(2)CH(3).
The molecular structure and conformational properties of S-ethyl trifluorothioacetate, CF(3)COSCH(2)CH(3), were determined in the gas phase by electron diffraction and vibrational spectroscopy (IR and Raman). The experimental investigations were supplemented by ab initio (Moller Plesset of second order) and density functional theory quantum chemical calculations at different levels of theory. B...
متن کاملA Theoretical Study on Cycloaddition of 2-Ethyny1-2, 3-Dihdrofurane and Phenyl Azide
A theoretical study of the kinetics and mechanism of second-order intermolecular C.) cloadd it ion of 2-Ethyny1-2,3-Dihydrofurane and Phenyl Azide was performed using DFT method at 101.111 le) cl of theory with 6-31 PrEG(d,p) basis set at 298.15K. Equilibrium molecular geometries and harmonic ) ihrational frequencies ofthe reactants, transition state, and product were calculated. The kinetic an...
متن کاملAtmospheric chemistry of CF 3 CF @ CH 2 : Kinetics and mechanisms of gas - phase reactions with Cl atoms , OH radicals , and O 3
Long path length FTIR-smog chamber techniques were used to determine k(Cl + CF3CF@CH2) = (7.03 ± 0.59) · 10 , k(OH + CF3CF@CH2) = (1.05 ± 0.17) · 10 , and k(O3 + CF3CF@CH2) = (2.77 ± 0.21) · 10 21 cm molecule 1 s 1 in 700 Torr of N2, N2/O2, or air diluent at 296 K. CF3CF@CH2 has an atmospheric lifetime of approximately 11 days and a global warming potential (100 yr time horizon) of four. CF3CF@...
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ژورنال
عنوان ژورنال: Chemical Physics Letters
سال: 2017
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2017.01.064