Adiabatic Correlation Rules for Reactions Involving Polyatomic Intermediate Complexes and their Application to the Formation of OH(2Σ+) in the H2–O2 Flame
Adiabatic Correlation Rules for Reactions Involving Polyatomic Intermediate Complexes and their Application to the Formation of OH(2Σ+) in the H2–O2 Flame
复制标题
涉及多原子中间配合物的反应的绝热相关规则及其在 H2-O2 火焰中 OH(2Σ+) 形成中的应用
DOI：
10.1063/1.1698979
复制
发表时间：
1953
影响因子：
4.4
通讯作者：
K. E. Shuler
中科院分区：
文献类型：
--
作者：
K. E. Shuler
绝热轨道和自旋相关规则适用于详细研究的基本化学反应，涉及非线性多原子中间复合物已制定，并与一些相关的相关表。这些相关规则和表格允许从分离的反应物的状态确定反应产物的热力学允许的术语歧管，而不参考它们的详细电子构型。这里提出的配方利用群理论的参数有关的对称性的反应物，中间反应络合物，和产品，主要是根据以前获得的结果Mulliken为分辨率的物种到那些较低的对称性的点群。详细考虑了反应过程中中间反应络合物的（几何）构型变化和电子振动耦合对这些关联的影响。我...
Adiabatic orbital and spin correlation rules applicable to a detailed study of elementary chemical reactions involving nonlinear polyatomic intermediate complexes have been formulated and are presented together with some pertinent correlation tables. These correlation rules and tables permit the determination of the adiabatically allowed term manifold of reaction products from the states of the separated reactants without reference to their detailed electronic configurations. The formulation presented here utilizes group theoretical arguments relating to the symmetry properties of the reactants, the intermediate reaction complex, and the products and is based principally upon the results obtained previously by Mulliken for the resolution of species into those of point groups of lower symmetry. The effects of the change of the (geometrical) configuration of the intermediate reaction complex during reaction and of the electronic‐vibrational coupling on these correlations have been considered in detail. It i...