Título: | EXPERIMENTAL AND THEORETICAL ANALYSIS OF (NH3)NNHM(+)(-) ION CLUSTERS DESORBED FROM SOLID AMMONIA BOMBARDED BY 65 MEV ION PROJECTILES | |||||||
Autor: |
RAFAEL MARTINEZ RODRIGUEZ |
|||||||
Colaborador(es): |
ENIO FROTA DA SILVEIRA - Orientador |
|||||||
Catalogação: | 31/MAR/2008 | Língua(s): | PORTUGUESE - BRAZIL |
|||||
Tipo: | TEXT | Subtipo: | THESIS | |||||
Notas: |
[pt] Todos os dados constantes dos documentos são de inteira responsabilidade de seus autores. Os dados utilizados nas descrições dos documentos estão em conformidade com os sistemas da administração da PUC-Rio. [en] All data contained in the documents are the sole responsibility of the authors. The data used in the descriptions of the documents are in conformity with the systems of the administration of PUC-Rio. |
|||||||
Referência(s): |
[pt] https://www.maxwell.vrac.puc-rio.br/projetosEspeciais/ETDs/consultas/conteudo.php?strSecao=resultado&nrSeq=11495&idi=1 [en] https://www.maxwell.vrac.puc-rio.br/projetosEspeciais/ETDs/consultas/conteudo.php?strSecao=resultado&nrSeq=11495&idi=2 |
|||||||
DOI: | https://doi.org/10.17771/PUCRio.acad.11495 | |||||||
Resumo: | ||||||||
A time-of-flight mass spectrometer, mounted at the
Laboratório National de
Luz Síncrotron (Campinas - SP), was used to analyze
desorbed ions of a condensed
ammonia sample (analyzing temperatures: 25 - 150 K) being
impacted by 252Cf
fission fragments . The spectrometer allows identifying and
determining the relative
yields of ionic desorbed species. Besides, it had been made
theoretical calculations
to determine the most stable cluster structures as well as
to determine the emission
dynamics of NH3 clusters observed in the experimental part.
The ammonia was chosen because of its similarity with the
water molecule
(very well studied). Another reason is the current interest
in determining the organic
compounds formation in the interstellar surfaces, now that
it is proven the presence
of ammonia in those surfaces. The measured spectra show the
formation of
ammonia clusters that can be represented by (NH3)nNHm
± with n = 0 - 30 and m = 0
- 5 for positive ions, and n = 0 - 3 for negative ones. One
way to evidence the
formation possibility of new compound is to perform
experiments with CO-NH3
mixture samples, using the same experimental set up used
for the ammonia. In the
spectrum measured before CO sublimation (30 K), mass lines,
product of primary
reactions, corresponding to hybrid molecular ions having
the CnOmHl
+ structure
were observed.
Theoretical calculations referring to cluster structures
had been carried out
using the programs Jaguar 5,5 and Jaguar 6.0. The objective
is to determine the
most stable structures of the ammonia clusters through the
Density Functional
Theory (DFT) by means of energy minimizations. A direct
relation between the
computed stabilities and the relative abundances in the
mass spectra was found.
Finally calculations with the Secondary Electron Induced
Desorption (SEID) model
had been carried out. Results of velocity and energy
distributions had been
compared with the experimental data of ammonia clusters (n
= 0, 4), presenting a
good agreement in absolute values but moderate agreement in
shape.
|
||||||||