منابع مشابه
Hyper-Rayleigh scattering spectrum of liquid nitromethane.
The vertical vertical (VV), horizontal vertical (HV), and vertical horizontal (VH) hyper-Rayleigh scattering (HRS) spectra were measured for liquid CH3NO2 at T= 300 K. The main HRS spectral component has a width upsilon1=1.28 +/- 0.04 cm(-1), which gives an orientation relaxation time pi=4.1 +/- 0.1 ps in good agreement with other experiments. However, the VH spectrum also contains a previously...
متن کاملRadiolysis of Liquid Propane: non-Radical Reactions
The yields of ionic and excited molecule reactions in y-radiolysis of liquid propane from 35 to -130C have been assessed by isotopic analysis of C3Hs-l-C3Ds+Oz and CH3CD2CH3 -1-02 mixtures. From a comparison with gas phase data the following conclusions are reached for the gas to liquid phase change: (a) the ionic decomposition yield rlecreases by :5 69 %, (b) the net excited molecule decomposi...
متن کاملRadiolysis of Liquid Propane: Radical Reactions
The radical reactions in the liquid phase y-radiolysis of propane have been studied from -130 to 35°C and compared with the gas-phase radiolysis at 35°C. Oxygen was used as a scavenger 10 separate thermal radical yields, and effects· of phase and temperature on the radical yields were assessed. The gas-liquid phase change (a) decreases total decomposition by about 14 %, (b) increMCs disproporti...
متن کاملMINDO-Forces Study on Substituted Nitromethane aci-Nitromethane Tautomerism
MINDO-Forces calculations with complete geometry optimization have been performed on nitromethane, aci-nitromethane and X-substituted nitromethane and aci-nitromethane (X = F, OH, NH2, CH3, CN, CF3, NO2, CHO). It is found that nitromethane is more stable than aci-nitromethane by 9.337 kcal/mol. This agrees with theoretical calculations. Thermodynamically, substituted acinitro tautomers are more...
متن کاملDensity-dependent liquid nitromethane decomposition: molecular dynamics simulations based on ReaxFF.
The decomposition mechanism of hot liquid nitromethane at various compressions was studied using reactive force field (ReaxFF) molecular dynamics simulations. A competition between two different initial thermal decomposition schemes is observed, depending on compression. At low densities, unimolecular C-N bond cleavage is the dominant route, producing CH(3) and NO(2) fragments. As density and p...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry
سال: 1970
ISSN: 0022-3654,1541-5740
DOI: 10.1021/j100702a005