Polynitrocarbamates Derived from Nitromethane
نویسندگان
چکیده
منابع مشابه
MINDO-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...
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Nitromethane (NM), a high explosive (HE) with low sensitivity, is known to undergo photolysis upon ultraviolet (UV) irradiation. The optical transparency, homogeneity, and extensive study of NM make it an ideal system for studying photodissociation mechanisms in conventional HE materials. The photochemical processes involved in the decomposition of NM could be applied to the future design of co...
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Ion-pair formation in gaseous nitromethane (CH(3)NO(2)) induced by electron transfer has been studied by investigating the products of collisions between fast potassium atoms and nitromethane molecules using a crossed molecular-beam technique. The negative ions formed in such collisions were analysed using time-of-flight mass spectroscopy. The six most dominant product anions are NO(2)(-), O(-)...
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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 کاملThermal decomposition of condensed-phase nitromethane from molecular dynamics from ReaxFF reactive dynamics.
We studied the thermal decomposition and subsequent reaction of the energetic material nitromethane (CH(3)NO(2)) using molecular dynamics with ReaxFF, a first principles-based reactive force field. We characterize the chemistry of liquid and solid nitromethane at high temperatures (2000-3000 K) and density 1.97 g/cm(3) for times up to 200 ps. At T = 3000 K the first reaction in the decompositio...
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ژورنال
عنوان ژورنال: Zeitschrift für anorganische und allgemeine Chemie
سال: 2017
ISSN: 0044-2313,1521-3749
DOI: 10.1002/zaac.201700230