霓虹灯
激发态
氩
密度泛函理论
化学
原子物理学
铂金
分子
红外光谱学
谱线
物理化学
光化学
计算化学
催化作用
生物化学
物理
有机化学
天文
作者
Lester Andrews,Xeufeng Wang,L. Manceron
摘要
Laser-ablated and thermally evaporated Pt atoms react with H2 to form PtH2, which is characterized by infrared spectra of PtH2, PtHD, and PtD2 in solid argon and neon, and density functional theory calculations. The insertion reaction of Pt into dihydrogen is spontaneous on annealing solid neon to 6–8 K and solid argon to 20–30 K. This observation requires spin–orbit coupling of the ground D33 and excited S01 states of Pt in the curve-crossing region to give the stable PtH2 (1A1) molecule. Laser-ablated Pt atoms with excess energy also react with H2 to produce PtH. Further reactions of PtH with H2 or PtH2 with H atoms give evidence for a new asymmetric H2PtH molecule, which is also characterized by isotopic substitution and frequency calculations.
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