基团电负性与含氮含硫有机物的标准生成热

Group Electronegativity and Standard Heats of Formation of Organic Compounds Containing Nitrogen or Sulfur

本文利用基团电负性建立了一个用以计算含氮含硫有机物标准生成热的简单方法,利用此方法计算了一些常见含氮含硫有机物的标准生成热,36个可比较值的平均偏差为1.88kJ/mol。

The paper has built up a formula for calculating the standard heats of formation of organic compounds containing nitrogen or sulfur: ΔH_f~°(RG)=ΔH_f~°(CH_3G)+f_(mXG)+g_m f_m=-4.56m_R+1.11 g_m=-20.47m_R+6.26 Here,ΔH_f~°(RG)and ΔH_f~°(CH_3G)are the standard heats of formation of RG and CH_3G, respectively;G=NH_2、NO_2、ONO_2、CONH_2、SH、SMe、SEt、Sph、and CH_3COS;x_G is the electronegativities of groups,G;m_R is the parameter for alky structure.We havs cal- culeted some standard heats of formation of organic compoun...