论文部分内容阅读
众所周知光电子能谱中结合能位移数据与分子的电荷分布密切相关。可以设想它与反映分子电子结构的其它物理化学性质间存在某些联系。Basch从理论上探讨了核磁共振化学位移与光电子能谱结合能间联系的可能性;Block报道了氯代甲烷中~(13)C化学位移和~(35)Cl核四极矩偶合常数与C_(15)结合能间的线性关系;Swary指出R(C_6H_5)_5P~+Y中~(31)~PY化学位移
It is well known that the binding energy displacement data in photoelectron spectroscopy is closely related to the charge distribution of molecules. It is conceivable that there is some connection between it and other physicochemical properties that reflect the molecular electronic structure. Basch theoretically explored the possibility of chemical shifts between NMR chemical shifts and the binding energy of photoelectron spectroscopy. Block reported the chemical shifts of ~ (13) C and the coupling constants of ~ (35) Cl quadrupole and C_ (15) The linear relationship between the binding energies; Swary pointed out that the chemical shifts of ~ (31) ~ PY in R (C_6H_5) _5P ~ + Y