Article

Collision-energy-resolved penning ionization electron spectroscopy of HCOOH, CH3COOH, and HCOOCH3 by collision with He*(2(3)S) metastable atoms.

Department of Chemistry, Graduate School of Science, Tohoku University, Aramaki, Aoba-ku, Sendai 980-8578, Japan.
The Journal of Physical Chemistry A (impact factor: 2.95). 07/2005; 109(21):4721-7. DOI:10.1021/jp051244e pp.4721-7
Source: PubMed

ABSTRACT Penning ionization of formic acid (HCOOH), acetic acid (CH3COOH), and methyl formate (HCOOCH3) upon collision with metastable He*(2(3)S) atoms was studied by collision-energy/electron-energy-resolved two-dimensional Penning ionization electron spectroscopy (2D-PIES). Anisotropy of interaction between the target molecule and He*(2(3)S) was investigated based on the collision energy dependence of partial ionization cross sections (CEDPICS) obtained from 2D-PIES as well as ab initio molecular orbital calculations for the access of a metastable atom to the target molecule. For the interaction potential calculations, a Li atom was used in place of He*(2(3)S) metastable atom because of its well-known similarity in interaction with targets. The results indicate that in the studied collision energy range the attractive potential localizes around the oxygen atoms and that the potential well at the carbonyl oxygen atom is at least twice as much as that at the hydroxyl oxygen. Moreover we can notice that attractive potential is highly anisotropic. Repulsive interactions can be found around carbon atoms and the methyl group.

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Keywords

ab initio molecular orbital calculations
 
acetic acid
 
Anisotropy
 
attractive potential localizes
 
CEDPICS
 
collision
 
collision energy dependence
 
collision-energy/electron-energy-resolved two-dimensional Penning ionization electron spectroscopy
 
formic acid
 
HCOOCH3
 
hydroxyl oxygen
 
Li atom
 
partial ionization
 
Penning ionization
 
Repulsive interactions
 
studied collision energy range
 
target molecule
 
well-known similarity