Energetic insights on two dye key molecules: N -methylphenothiazine and N -methylphenoxazine

The Journal of Chemical Thermodynamics(2016)

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摘要
•Determination of the temperature-vapour pressure dependence by mass-loss Knudsen effusion method of N-methylphenothiazine.•Measurement of the massic energy of combustion, in oxygen, of the crystalline N-methylphenothiazine.•Gas-phase enthalpies of formation for N-methylphenothiazine and N-methylphenoxazine.•Correlation for assessment of gas-phase enthalpy of formation of cyclic amino derivatives.•Gas-phase enthalpies of formation estimated from G3(MP2)//B3LYP approach.
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关键词
Gas-phase enthalpy of formation,Vapour pressures,Correlation schemes for amino compounds,HOMO and LUMO,Electrostatic potential energy maps,Methyl hydrogen atoms
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