Application of HMO for Reactivity of the Benzologous Pyridine Ligands (Ⅱ)

Benzologous Pyridine 계 리간드의 반응성에 대한 HMO 의 응용(제 2보)

  • Ja Hong Kim (Department of Chemistry, Jeonbug National University) ;
  • Gae Soo Lee (Department of Chemistry, Chonnam National University)
  • 김자홍 (전북대학교 사범대학 화학과) ;
  • 이계수 (전남대학교 문리과대학 화학과)
  • Published : 19800230


The frontier electron densities and pK values for benzologous pyridine ligands are calculated using the HMO. Linear regression formula for pK in protonation of ligands is derived from the electron densities and observed pK values. The calculated pK values are in agreement with those of experimental values and a parallelism is shown between pK and qN. The reactivities for electrophilic, nucleophilic and radical reactions have also been calculated respectively by frontier electron densities.



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