A Study of the Thermal C-C and C-H Bond Cleavage in the Aromatic Molecules : Acenaphthene and Acenaphthylene

Muthana Shanshal; Hassan H. Abdullah

Article Details

A Study of the Thermal C-C and C-H Bond Cleavage in the Aromatic Molecules : Acenaphthene and Acenaphthylene

Authors:

Muthana Shanshal | Hassan H. Abdullah

Publisher:

Yarmouk University : The Deanship of Research and Graduate Studies

Main Topics:

Chemistry and allied sciences

Journal:

Jordan Journal of Chemistry 2012 Vol.7 Issue 4, pp.329-337

Document Type:

Article

Publication Date:

12/2012

Document Language:

English

Document ID (Org No.):

27672

Frequency:

Quarterly

pISSN:

18149111

Descriptors:

Keywords:

Abstract:

 The thermal decomposition of the two aromatic hydrocarbons Acenaphthene andAcenaphthylene is studied applying the open shell semiempirical (Hartree-Fock) PM3 method. Inthis study all internal coordinates were varied, except the coordinate chosen to describe thereaction. All possible intermediates were considered on describing the reaction scheme. Thepreferred reaction path was assigned on the basis of comparing the activation energies of thedifferent paths. The treatment shows that the preferred reaction paths lead to the formation ofacetylene as a final product. This result is similar, but in the reverse direction, to formertheoretical and experimental results reported in the literature, which showed that acetylene is abasic building unit within the natural formation reactions of Polycyclic Aromatic Hydrocarbonmolecules.

Article Details

A Study of the Thermal C-C and C-H Bond Cleavage in the Aromatic Molecules : Acenaphthene and Acenaphthylene

Authors:

Muthana Shanshal | Hassan H. Abdullah

Publisher:

Yarmouk University : The Deanship of Research and Graduate Studies

Main Topics:

Chemistry and allied sciences

Journal:

Jordan Journal of Chemistry 2012 Vol.7 Issue 4, pp.329-337

Document Type:

Article

Publication Date:

12/2012

Document Language:

English

Document ID (Org No.):

27672

Frequency:

Quarterly

pISSN:

18149111

Descriptors:

CHEMICAL BONDS

CHEMICAL COMPOUNDS

AROMATIC HYDROCARBONS

MOLECULES

THERMAL PROPERTIES

Acenaphthene

Acenaphthylene

Decomposition

PM3

Issues

Article Details

Authors: Muthana Shanshal | Hassan H. Abdullah

Publisher: Yarmouk University : The Deanship of Research and Graduate Studies

Main Topics: Chemistry and allied sciences

Journal: Jordan Journal of Chemistry 2012 Vol.7 Issue 4, pp.329-337

Document Type: Article

Publication Date: 12/2012

Document Language: English

Document ID (Org No.): 27672

Frequency: Quarterly

pISSN: 18149111

Descriptors:

Issues

Authors:

Muthana Shanshal | Hassan H. Abdullah

Publisher:

Yarmouk University : The Deanship of Research and Graduate Studies

Main Topics:

Chemistry and allied sciences

Journal:

Jordan Journal of Chemistry 2012 Vol.7 Issue 4, pp.329-337

Document Type:

Article

Publication Date:

12/2012

Document Language:

English

Document ID (Org No.):

27672

Frequency:

Quarterly

pISSN:

18149111