Effect of the Medium on the Electronic Structures of the Anthranilic Acid Conformers : A Theoretical Study

طارق إرشيدات

Article Details

Effect of the Medium on the Electronic Structures of the Anthranilic Acid Conformers : A Theoretical Study

Authors:

طارق إرشيدات

Publisher:

Yarmouk University : The Deanship of Research and Graduate Studies

Main Topics:

Chemistry and allied sciences

Journal:

Jordan Journal of Chemistry 2011 Vol.6 Issue 1, pp.33-49

Document Type:

Article

Publication Date:

3/2011

Document Language:

English

Document ID (Org No.):

27574

Frequency:

Quarterly

pISSN:

18149111

Descriptors:

Keywords:

Abstract:

 As a fundamental point of view, the effect of the medium on the electronic structure ofrelated conformers when switching among different types of H-bonds has not received anyconsiderable attention. To investigate this point, conformers of anthranilic acid were adopted asmodel structures. The solvent effect was examined using the polarizable continuum model(PCM) and six media; gas phase, benzene, 1,2-dichloroethane, acetone, dimethyl sulfoxide, andwater. The results illustrate that the type of the H-bond can be a critical factor in controllingresponse of conformers to the medium. This conclusion was reached after analyzing the relativeenergies, the individual stabilization energies, the dipole moments, the charge delocalizationenergies, the atomic charges, and the frontier orbitals. From a fundamental point of view and tobest of our knowledge, this is the first study in the literature that addressed this issue andtherefore considered a new addition to the H-bond theory.

Article Details

Effect of the Medium on the Electronic Structures of the Anthranilic Acid Conformers : A Theoretical Study

Authors:

طارق إرشيدات

Publisher:

Yarmouk University : The Deanship of Research and Graduate Studies

Main Topics:

Chemistry and allied sciences

Journal:

Jordan Journal of Chemistry 2011 Vol.6 Issue 1, pp.33-49

Document Type:

Article

Publication Date:

3/2011

Document Language:

English

Document ID (Org No.):

27574

Frequency:

Quarterly

pISSN:

18149111

Descriptors:

ORGANIC COMPOUNDS

ACIDS

MOLECULAR STRUCTURE

SOLVENTS

CHEMICAL REACTIONS

CHEMICAL BONDS

Anthranilic acid conformers

Solvent effect

Dipole moment

PCM

NBO

Issues

Article Details

Authors: طارق إرشيدات

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

Main Topics: Chemistry and allied sciences

Journal: Jordan Journal of Chemistry 2011 Vol.6 Issue 1, pp.33-49

Document Type: Article

Publication Date: 3/2011

Document Language: English

Document ID (Org No.): 27574

Frequency: Quarterly

pISSN: 18149111

Descriptors:

Issues

Authors:

طارق إرشيدات

Publisher:

Yarmouk University : The Deanship of Research and Graduate Studies

Main Topics:

Chemistry and allied sciences

Journal:

Jordan Journal of Chemistry 2011 Vol.6 Issue 1, pp.33-49

Document Type:

Article

Publication Date:

3/2011

Document Language:

English

Document ID (Org No.):

27574

Frequency:

Quarterly

pISSN:

18149111