Dissociation mechanisms of excited CH3X (X = Cl, Br, and I) formed via high-energy electron transfer using alkali metal targets

作者: Shigeo Hayakawa , Taiga Tsujinaka , Akimasa Fujihara

DOI: 10.1063/1.4765103

关键词:

摘要: High-energy electron transfer dissociation (HE-ETD) on collisions with alkali metal targets (Cs, K, and Na) was investigated for CH(3)X(+) (X = Cl, Br, I) ions by a charge inversion mass spectrometry. Relative peak intensities of the negative formed via HE-ETD strongly depend precursor target metals. The dependency is explained exothermicities respective processes. Peak shapes ions, especially X(-) which comprise triangle trapezoid, also trapezoidal part I(-) observed Na more dominant much broader than that Cs target. This dependence shows an inverse relation between width available energy, corresponds to exothermicity assuming formation fragment pair in their ground internal states. From comparison kinetic energy release value calculated from shape near-resonant level CH(3)I potential curve reported ab initio calculations, attributed CH(3) + I((2)P(3/2)) repulsive (3)Q(1) state CH(3)I, not photo-dissociation CH(3)I. observation trapezoid CH(2)I(-) indicates spontaneous (3)R(2) Rydberg state, although correlation relevant states has been any theoretical calculation.

参考文章(34)
James H. Butler, Better budgets for methyl halides? Nature. ,vol. 403, pp. 260- 261 ,(2000) , 10.1038/35002232
Shigeo Hayakawa, Mitsuhito Takahashi, Kazuo Arakawa, Norio Morishita, Definitive evidence for the existence of a long-lived vinylidene radical cation, H2C=C+. The Journal of Chemical Physics. ,vol. 110, pp. 2745- 2748 ,(1999) , 10.1063/1.477875
Aleksey B. Alekseyev, Heinz-Peter Liebermann, Robert J. Buenker, An ab initio study of the CH3I photodissociation. II. Transition moments and vibrational state control of the I* quantum yields Journal of Chemical Physics. ,vol. 126, pp. 234103- 234103 ,(2007) , 10.1063/1.2736696
Giovanni Granucci, Gregory Medders, Ana Maria Velasco, Potential energy surfaces of the first three singlet states of CH3Cl Chemical Physics Letters. ,vol. 500, pp. 202- 206 ,(2010) , 10.1016/J.CPLETT.2010.10.011
Shigeo Hayakawa, Kengo Harada, Kazuo Arakawa, Norio Morishita, Study of the dissociation of neutral intermediates using charge inversion mass spectrometry Journal of Chemical Physics. ,vol. 112, pp. 8432- 8435 ,(2000) , 10.1063/1.481446
Christelle Escure, Thierry Leininger, Bruno Lepetit, Ab initio study of valence and Rydberg states of CH3Br. Journal of Chemical Physics. ,vol. 130, pp. 244306- 244306 ,(2009) , 10.1063/1.3152865
André T. J. B. Eppink, David H. Parker, Methyl iodide A-band decomposition study by photofragment velocity imaging Journal of Chemical Physics. ,vol. 109, pp. 4758- 4767 ,(1998) , 10.1063/1.477087
A. T. J. B. Eppink, D. H. Parker, Energy partitioning following photodissociation of methyl iodide in the A band: A velocity mapping study Journal of Chemical Physics. ,vol. 110, pp. 832- 844 ,(1999) , 10.1063/1.478051
Shigeo Hayakawa, Charge inversion mass spectrometry: dissociation of resonantly neutralized molecules Journal of Mass Spectrometry. ,vol. 39, pp. 111- 135 ,(2004) , 10.1002/JMS.613
Alec M. Wodtke, Peter C. Samartzis, Valérie Blanchet, UV photodissociation of methyl bromide and methyl bromide cation studied by velocity map imaging Journal of Chemical Physics. ,vol. 130, pp. 034304- 034304 ,(2009) , 10.1063/1.3058730