The dynamic study of the excited Ca atom (3D) reaction with H2 molecule
Date Issued
2004
Date
2004
Author(s)
Chang, Ya-Lan
DOI
en-US
Abstract
The nascent CaH product in the reaction Ca(4s3d 1D)+H2 → CaH(X2Σ+)+H is obtained using a pump-probe technique. The nascent CaH (v=0,1) distributions, with a population ratio of CaH(v=0)/CaH(v=1) = 3.3±0.5, may be characterized by Boltzmann rotational temperature of 807±31 and 684±56 K for the v=0 and 1 levels, respectively, and a Boltzmann vibrational temperature of 1518±202 K. The rotational and vibrational energy partitions in CaH have been estimated to be 388±38 and 292±29 cm-1, respectively. According to Arrhenius theory, the temperature dependence measurement shows no potential barrier for the current reaction. With the aid of the potential energy surfaces (PESs) calculations, the reaction pathway favors a Ca insertion into the H2 bond along a (near) C2v geometric approach. The reaction will occur when H-H is at its equilibrium bond distance, 0.75 Å. The high rotational energy distribution (38%) of the nascent CaH product may be reasonably interpreted from the nature of the short-lived intermediate structure comparing with those of Ca(41P1) reaction with H2.
Subjects
激發偵測
反應動力學
氫氣
鈣
雷射誘導螢光
LIF
pump probe
dynamic
H2
Ca
Type
thesis
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