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光子学报  2008 

Study on TOF-MS of Ethanol Clusters used Multiphoton Ionization
基于多光子电离的乙醇团簇飞行时间质谱研究

Keywords: 多光子电离,飞行时间质谱,乙醇团簇,从头计算,质子转移

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Abstract:

The neutral ethanol cluster produced by supersonic expansion was studied by the laser at 532 nm and 355 nm outputted by a pulsed Nd:YAG laser.It found that those clusters should be ionized by three photons at 355 nm.Two series of protonated cluster ions,(CH3CH2OH)nH+(n=1~15) and (CH3CH2OH)n(H2O)H+(n=7~15),were measured by technology of time of flight-mass spectrum.(CH3CH2OH)3H+ has a magic structure.Combined with ab initio calculations at the B3LYP/6-31G++ levels,the structures and stability of (CH3CH2OH)nH+ were speculated,and the proton transfer reaction,which happened after ionization of ethanol clusters and lead to the birth of the protoned clusters,was discussed.Because of influence of salvation,the other series of protonated cluster ions,(CH3CH2OH)n(H2O) H+ appeared only at the bigger size.

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