Electron collisions with the CH(2)O-H(2)O complex


Autoria(s): FREITAS, T. C.; LIMA, M. A. P.; Canuto, Sylvio Roberto Accioly; BETTEGA, M. H. F.
Contribuinte(s)

UNIVERSIDADE DE SÃO PAULO

Data(s)

18/04/2012

18/04/2012

2009

Resumo

We report cross sections for elastic collisions of low-energy electrons with the CH(2)O-H(2)O complex. We employed the Schwinger multichannel method with pseudopotentials in the static-exchange and in the static-exchange-polarization approximations for energies from 0.1 to 20 eV. We considered four different hydrogen-bonded structures for the complex that were generated by classical Monte Carlo simulations. Our aim is to investigate the effect of the water molecule on the pi* shape resonance of formaldehyde. Previous studies reported a pi* shape resonance for CH(2)O at around 1 eV. The resonance positions of the complexes appear at lower energies in all cases due to the mutual polarization between the two molecules. This indicates that the presence of water may favor dissociation by electron impact and may lead to an important effect on strand breaking in wet DNA by electron impact.

FINEP

Fundacao Araucaria

CNPq under the NSF/CNPq program[490415/2007-5]

Identificador

PHYSICAL REVIEW A, v.80, n.6, 2009

1050-2947

http://producao.usp.br/handle/BDPI/16086

10.1103/PhysRevA.80.062710

http://dx.doi.org/10.1103/PhysRevA.80.062710

Idioma(s)

eng

Publicador

AMER PHYSICAL SOC

Relação

Physical Review A

Direitos

restrictedAccess

Copyright AMER PHYSICAL SOC

Palavras-Chave #IMPACT EXCITATION #SCATTERING #FORMALDEHYDE #MOLECULES #PSEUDOPOTENTIALS #H-2 #Optics #Physics, Atomic, Molecular & Chemical
Tipo

article

original article

publishedVersion