Chemical Physics ( IF 2.3 ) Pub Date : 2018-08-09 , DOI: 10.1016/j.chemphys.2018.08.012 S.A. Yakovleva , A.K. Belyaev , W.P. Kraemer
The simplified model approach is applied to low-energy collisions of iron atoms and cations with hydrogen atoms and anions.Inelastic collisional processes for all transitions involving 97 low-lying covalent Fe + H states and two ionic + molecular states are treated, and rate coefficients for excitation, de-excitation, ion-pair formation and neutralization processes are calculated within the and molecular symmetries.Rate coefficients with highest values correspond to the mutual neutralization processes (4s ) + Fe((3G)4s4p(3P°) w 5G°, v 5F°, y 5H°) + H(1s 2S) and (F) + Fe(G) 4p w 3F°, y 3H°, v 3G°) + H(1s 2S). The highest rate coefficients for excitation and de-excitation correspond to the Fe((3G)4s4p(3P°) v 5F°) + H( 2S) Fe((3G)4s4p(3P°) y 5H°) + H(1s 2S) process within the sextet molecular symmetries and the Fe((2)4p v 3F°) + H( 2S) Fe((2G)4p v 3G°) + H(1s 2S) process within the quartet molecular symmetries.
中文翻译:
低能铁氢碰撞中的非弹性过程
简化的模型方法适用于铁原子和阳离子与氢原子和阴离子的低能碰撞,涉及涉及97个低价共价Fe + H态和两个离子态的所有跃迁的非弹性碰撞过程 + 处理分子状态,并在反应室内计算出激发,去激发,离子对形成和中和过程的速率系数 和 分子对称性。速率系数最高的值对应于相互中和过程 (4秒 )+ 铁((3 G)4s4p(3 P°)w 5 G°,v 5 F°,y 5 H°)+ H(1s 2 S)和 (F)+ 铁(G)4p w 3 F°,y 3 H°,v 3 G°)+ H(1s 2 S)。激发和消磁的最高速率系数对应于Fe( (3 G)4s4p(3 P°)v 5 F°)+ H( 2秒) 铁((3 G)4s4p(3 P°)Y 5 H°)+ H(1S 2 S)的六重峰分子对称性与铁内的过程( (2)4p v 3 F°)+ H( 2秒) 铁((2 G)4p v 3 G°)+ H(1s 2 S)过程在四重奏分子对称中。