EaStCHEM School of Chemistry, Joseph Black Building, The King's Buildings, Edinburgh EH9 3JJ, United Kingdom.
J Chem Phys. 2011 Sep 14;135(10):104302. doi: 10.1063/1.3625956.
Vibrational levels of the F(')0(u)(+)((1)D(2)), F0(u)(+)((3)P(0)), and D0(u)(+)((3)P(2)) ion-pair states of (35)Cl(2) and (35)Cl(37)Cl in the range 62,500-67,600 cm(-1) have been observed using (1 + 2(')) optical-optical double resonance excitation with mass-resolved ion detection. The strong F(')0(u)(+)((1)D(2))/F0(u)(+)((3)P(0)) coupling has been modelled by a coupled two-state calculation. An optimized fit of the experimental data used an F(')0(u)(+)((1)D(2)) state potential with a T(e) of 65,177 cm(-1) and an R(e) of ≈2.636 Å with a coupling constant of ≈430 cm(-1). The calculation assigns the first observed members of the F(')0(u)(+)((1)D(2)) state progression of (35)Cl(2) and (35)Cl(37)Cl at 64,998 and 65,094 cm(-1), respectively, as transitions to v = 0.
已在 62,500-67,600 cm(-1) 范围内观察到 (35)Cl(2) 和 (35)Cl(37)Cl 的 F(')0(u)(+)((1)D(2))、F0(u)(+)((3)P(0)) 和 D0(u)(+)((3)P(2)) 离子对态的振动能级，采用 (1 + 2(')) 光学-光学双共振激发和质量分辨离子检测。通过耦合双态计算对强 F(')0(u)(+)((1)D(2))/F0(u)(+)((3)P(0)) 耦合进行了建模。实验数据的优化拟合使用 F(')0(u)(+)((1)D(2)) 态势能，T(e) 为 65,177 cm(-1)，R(e) 约为 2.636 Å，耦合常数约为 430 cm(-1)。该计算将 (35)Cl(2) 和 (35)Cl(37)Cl 的 F(')0(u)(+)((1)D(2)) 态级数的第一个观察到的成员分别分配为 64,998 和 65,094 cm(-1)，作为跃迁到 v = 0。
