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Fundamental study of ionization and dissociation processes caused by electron impact in aromatic molecules; application of the quasi-equilibrium theory to phenanthrene and to methylphenanthrenes; Etudes fondamentales des processus d'ionisation et de dissociation des molecules aromatiques par impact electronique et application de la theorie du quasi-equilibre au phenanthrene et aux methyl-phenanthrenes

Abstract

The quasi-equilibrium theory has been applied only to the family of long chain aliphatic hydrocarbons. We have tried to extend it to phenanthrene and methyl-phenanthrenes molecules, i.e. to aromatic molecules possessing a great number of degrees of freedom. In a first part, we have attempted to give a method of interpretation of the ionization and dissociation processes of the phenanthrenic molecules. These preliminary experimental studies of the behaviour under electron impact of the compounds provide us a great wealth of information about important structural transformations of the molecular and fragment ions, and also about auto-ionization and excitation processes of the studied molecules. The experimental study of the metastable peaks has then confirmed the validity of the preceding dissociation processes, while it gave with more accuracy some thermodynamical values in connection with decomposition reactions. The three studies of the ionization, then dissociation processes and of the metastable peaks, represent the three phases of a general method of interpretation of the fragmentation in mass spectrometry. In order to give this method a theoretical basis, we have carried out the molecular diagrams of each of the studied, compounds, showing by this way the aid of Quantum Mechanics to the study of excited and  More>>
Authors:
Nounou, P [1] 
  1. Commissariat a l'Energie Atomique, Grenoble (France). Centre d'Etudes Nucleaires
Publication Date:
Jul 01, 1969
Product Type:
Thesis/Dissertation
Report Number:
CEA-R-3816
Resource Relation:
Other Information: TH: These Docteur ES sciences physiques; 152 refs; PBD: 1969
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; AROMATICS; DISSOCIATION; IONIZATION; MASS SPECTRA; MASS SPECTROSCOPY; PHENANTHRENE
OSTI ID:
20552649
Research Organizations:
CEA Grenoble, 38 (France); Faculte des Sciences de l'Universite de Grenoble, 38 (France)
Country of Origin:
France
Language:
French
Other Identifying Numbers:
TRN: FR04R3816007906
Availability:
Available from INIS in electronic form
Submitting Site:
FRN
Size:
165 pages
Announcement Date:

Citation Formats

Nounou, P. Fundamental study of ionization and dissociation processes caused by electron impact in aromatic molecules; application of the quasi-equilibrium theory to phenanthrene and to methylphenanthrenes; Etudes fondamentales des processus d'ionisation et de dissociation des molecules aromatiques par impact electronique et application de la theorie du quasi-equilibre au phenanthrene et aux methyl-phenanthrenes. France: N. p., 1969. Web.
Nounou, P. Fundamental study of ionization and dissociation processes caused by electron impact in aromatic molecules; application of the quasi-equilibrium theory to phenanthrene and to methylphenanthrenes; Etudes fondamentales des processus d'ionisation et de dissociation des molecules aromatiques par impact electronique et application de la theorie du quasi-equilibre au phenanthrene et aux methyl-phenanthrenes. France.
Nounou, P. 1969. "Fundamental study of ionization and dissociation processes caused by electron impact in aromatic molecules; application of the quasi-equilibrium theory to phenanthrene and to methylphenanthrenes; Etudes fondamentales des processus d'ionisation et de dissociation des molecules aromatiques par impact electronique et application de la theorie du quasi-equilibre au phenanthrene et aux methyl-phenanthrenes." France.
@misc{etde_20552649,
title = {Fundamental study of ionization and dissociation processes caused by electron impact in aromatic molecules; application of the quasi-equilibrium theory to phenanthrene and to methylphenanthrenes; Etudes fondamentales des processus d'ionisation et de dissociation des molecules aromatiques par impact electronique et application de la theorie du quasi-equilibre au phenanthrene et aux methyl-phenanthrenes}
author = {Nounou, P}
abstractNote = {The quasi-equilibrium theory has been applied only to the family of long chain aliphatic hydrocarbons. We have tried to extend it to phenanthrene and methyl-phenanthrenes molecules, i.e. to aromatic molecules possessing a great number of degrees of freedom. In a first part, we have attempted to give a method of interpretation of the ionization and dissociation processes of the phenanthrenic molecules. These preliminary experimental studies of the behaviour under electron impact of the compounds provide us a great wealth of information about important structural transformations of the molecular and fragment ions, and also about auto-ionization and excitation processes of the studied molecules. The experimental study of the metastable peaks has then confirmed the validity of the preceding dissociation processes, while it gave with more accuracy some thermodynamical values in connection with decomposition reactions. The three studies of the ionization, then dissociation processes and of the metastable peaks, represent the three phases of a general method of interpretation of the fragmentation in mass spectrometry. In order to give this method a theoretical basis, we have carried out the molecular diagrams of each of the studied, compounds, showing by this way the aid of Quantum Mechanics to the study of excited and ionic states. In a second part, we have carried out the mass spectra of the phenanthrene and methyl-phenanthrenes molecules by means of the rate constants expression given by ROSENSTOCK. We have proposed new methods of calculation of the frequency factors, for the aliphatic molecules as well as the aromatic ones. If the rather good agreement observed between the experimental and calculated results cannot be surely attributed to the validity of the theory, however it out-lines the interest presented by the application of this theory to large aromatic molecules. Furthermore, the results at which we arrived provide us with interesting information about the behaviour under ionizing radiations of the studied compounds. (author) [French] La theorie du quasi-equilibre n'a ete appliquee jusqu'a present qu'a la seule famille des hydrocarbures aliphatiques en chaine droite. Nous avons donc essaye de l'etendre au phenanthrene et au methyl-phenantrene, c'est-a-dire, d'une part a des molecules aromatiques et d'autre part a des molecules ayant un tres grand nombre de degres de liberte. Dans une premiere partie nous avons tente d'interpreter de facon methodique les processus d'ionisation et de dissociation des molecules phenanthreniques. Cette premiere etude experimentale du comportement des composes sous impact electronique, et son interpretation, nous ont fourni de precieux renseignements sur de profonds changements de structure des ions moleculaires et fragmentaires, voire d'excitation des molecules etudiees. L'etude approfondie des pics metastables a ensuite confirme les processus de dissociation precedents, tout en precisant certaines grandeurs thermodynamiques relatives aux reactions de decomposition. Etudes des processus d'ionisation, puis de dissociation, et enfin des pics metastables, constituent les trois temps d'une methode generale d'interpretation de la fragmentation en spectrometrie de masse. Pour donner a cette methode son assise theorique nous avons ete amenes a elaborer les diagrammes moleculaires de chacun des composes etudies, montrant ainsi l'aide efficace que peut presenter la Mecanique Quantique pour l'etude des etats excites et ionises. Dans une seconde partie, nous avons calcule les spectres de masse du phenanthrene et des methyl-phenanthrenes a partir des expressions des constantes de reaction donnees par ROSENSTOCK. Pour ce faire, nous avons propose de nouvelles methodes de calcul des facteurs de frequence, tant pour les molecules aliphatiques que les aromatiques. Si le bon accord generalement observe entre le calcul et l'experience ne peut etre attribue a coup sur a l'exactitude de la theorie, il n'en demontre pas moins l'interet que presentait l'application de cette theorie a de grosses molecules aromatiques. De plus, les resultats auxquels aboutit ce travail donnent d'interessants renseignements sur le comportement des composes etudies vis-a-vis des radiations ionisantes. (auteur)}
place = {France}
year = {1969}
month = {Jul}
}