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建立了由溶液相热力学常数的测定估测气相均裂键能(BDE)的新方法。系统研究了取代苯乙腈系列和取代芳胺及缩氨脲系列的C—H键和N—H键的气相BDE,并由此得到自由基的相对稳定化能(RSE)。实验数据表明,上述各系列自由基均属于可被供电子基稳定化但被吸电子基去稳定化的“Class O”自由基。
A new method to estimate the gas phase cleavage bond energy (BDE) was established by the determination of the thermodynamic constants of solution phase. The gas-phase BDE of C-H bond and N-H bond in the series of substituted phenylacetonitrile and the substituted aromatic amines and semicarbazones were systematically investigated. The relative steady-state energy (RSE) of free radicals was obtained. Experimental data show that the above-mentioned series of free radicals all belong to “Class 0” radicals that can be stabilized by electron donors and destabilized by electron-withdrawing groups.