Theoretical Study of the Molecular Geometries, Electronic and Thermodynamic Properties of Chlorinated Dipyrido-(3,2-a:𝟐′,𝟑′-c)-Phenazine
Theoretical study of the molecular geometries, electronic and thermodynamic properties of dipyrido-(3,2-a:2,3-c)-phenazine (dppz) was carried out in the gas phase under standard conditions using PM6 Hamiltonian in semiempirical model. Effects of chlorine substituents on these properties were also...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Hindawi Limited
2013-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2013/640649 |