酸碱软硬度的电势原子势标度

THE ELECTRODE POTENTIALS AND ATOMIC SOTENTIOLS SCALE OF THE HARDNESS-SOFTNESS OF ACIDS AND BASES

软硬酸碱原则在化学的各个领域都得到了广泛的应用。在其定量化标度方面也做了不少工作,例如Yingst等的酸度量|α/β|,Klopman的En≠和Em≠值,parr和pearson的绝对硬度以及Yatsimirski的ΔAFH等。但是,他们的工作在理论性和应用上都无法统一起来。本文提出一种具有广泛应用性的酸碱软硬度的键参数标度。Mulliken在研究一类弱lewis加合物的光谱时。

Making researched on the properties of atomic potentials, electrode potentials and Mulliken equation, we obtained two new scales of the hardness-softness of acids and bases by Quantum Structral Diagrams method. The bardness-softness of acids is HS_A, HS_A=E^0+0.55|Z|/r 1.33, HS_A>0.5 is hard rcid, HS_A<-0.5 is soft acid, -0.5<HS_A<0.5 is borderline acid. The hardness-softness of bases is HS_B, HS_B=E^0+0.81|Z|/r-1.48, HS_B>0 is herd base, HS_B<0 is soft base, HS_B=0 is borderline base. HS=|HS_A+HS_B| Was defined as the preferable strength of acids and tases.