A theoretical study of substituted nitromethane and aci-nitromethane tautomerism
Other Title(s)
دراسة نظرية لنظام النيترو ميثان و الايزونيتروميثان المعوض
Dissertant
al-Tarawinah, Barihan Muhammad
Thesis advisor
Comitee Members
al-Umari, Hamzah
Mahasinah, Ali
al-Allaf, Talal
University
Mutah University
Faculty
Faculty of Science
Department
Department of Chemistry
University Country
Jordan
Degree
Master
Degree Date
2005
English Abstract
MINDO-Forces calculations with complete geometry optimization have been performed on nitro methane, aci-nitromethane and X-substituted nitro methane and aci-nitromethane (X = F, OH, NH2, CH3j CN, CF3i N02 and CHO).
It was found that nitro methane is more stable than aci-nitromethane by 9.337 Kcal / mol, agrees with the theoretical calculations.
All substituents (F, OH, NH2, CH3, CN, CF3, N02 and CHO) cause change in geometrical parameters, especially at where the substituent is attached.
The substituent F, OH, NH2 and CH3) behaves as electron releasing while CN, CF3N02 and CHO act as electron withdrawing.
Calculations of entropy and Gibbs free energy show that all substituent decrease the stability of nitro methane .This is confirmed by Isoseismic reactions and electron distribution.
Main Subjects
No. of Pages
27
Table of Contents
Table of contents.
Abstract.
Chapter one : Statement of the problem.
Chapter two : Review of literature.
Chapter three : Design and methodology.
Chapter four : Findings.
Chapter five : Conclusion.
References.
American Psychological Association (APA)
al-Tarawinah, Barihan Muhammad. (2005). A theoretical study of substituted nitromethane and aci-nitromethane tautomerism. (Master's theses Theses and Dissertations Master). Mutah University, Jordan
https://search.emarefa.net/detail/BIM-304443
Modern Language Association (MLA)
al-Tarawinah, Barihan Muhammad. A theoretical study of substituted nitromethane and aci-nitromethane tautomerism. (Master's theses Theses and Dissertations Master). Mutah University. (2005).
https://search.emarefa.net/detail/BIM-304443
American Medical Association (AMA)
al-Tarawinah, Barihan Muhammad. (2005). A theoretical study of substituted nitromethane and aci-nitromethane tautomerism. (Master's theses Theses and Dissertations Master). Mutah University, Jordan
https://search.emarefa.net/detail/BIM-304443
Language
English
Data Type
Arab Theses
Record ID
BIM-304443
