Synchrotron radiation VUV double photoionization of some small molecules

doi:10.1088/1674-1056/20/4/043201

Abstract The VUV double photoionizations of small molecules (NO, CO, CO₂, CS₂, OSC and NH₃) were investigated with photoionization mass spectroscopy using synchrotron radiation. The double ionization energies of molecules were determined with photoionization efficiency spectroscopy. The total energies of these molecules and their parent dications (NO²⁺, CO²⁺, CO₂²⁺, CS₂²⁺, OSC²⁺and NH₃²⁺) were calculated using the Gaussian 03 program and Gaussian 2 calculations. Then, the adiabatic double ionization energies of the molecules were predicated by using high accuracy energy mode. The experimental double ionization energies of these small molecules were all in reasonable agreement with their respective calculated adiabatic double ionization energies. The mechanisms of double photoionization of these molecules were discussed based on a comparison of our experimental results with those predicted theoretically. The equilibrium geometries and harmonic vibrational frequencies of molecules and their parent dications were calculated by using the MP2 (full) method. The differences in configurations between these molecules and their parent dications were also discussed on the basis of theoretical calculations.

Keywords: double photoionization synchrotron radiation dication adiabatic double ionization energy

Received: 25 August 2010
Revised: 10 October 2010
Accepted manuscript online:

PACS:	32.80.-t	(Photoionization and excitation)
	33.20.Ni	(Vacuum ultraviolet spectra)
	34.80.Gs	(Molecular excitation and ionization)
	82.50.-m	(Photochemistry)

Fund: Project supported by the National Natural Science Foundation of China (Grant No. 10874167) and the Knowledge Innovation Foundation of the Chinese Academy of Sciences (Grant No. KJCX2-YW-N24).

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Zhao Yu-Jie(赵玉杰), Shan Xiao-Bin(单晓斌), Sheng Liu-Si(盛六四), Wang Zhen-Ya(王振亚), Zhang Jie(张杰), and Yu Chun-Ri(余春日) Synchrotron radiation VUV double photoionization of some small molecules 2011 Chin. Phys. B 20 043201

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Synchrotron radiation VUV double photoionization of some small molecules

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