Synthesis, crystal structure, molecular orbital calculations and electronic properties of 2,3-di(2-pyridyl)naphtho[2,3-f]quinoxaline-7,12-quinone (Aqdpp)

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dc.contributor.authorLopez, R
dc.contributor.authorBoys, D
dc.contributor.authorLoeb, B
dc.contributor.authorZuloaga, F
dc.date.accessioned2024-01-10T13:43:42Z
dc.date.available2024-01-10T13:43:42Z
dc.date.issued1998
dc.description.abstractThe synthesis, characterization and crystal structure of 2,3-di(2-pyridyl)naphtho[2,3-f]quinoxaline-7,12-quinone (Aqdpp) are reported. Molecular orbital calculations have been carried out in order to characterize its reactivity and coordination properties. surface maps for the electronegativity, hardness and Fukui functions have been generated to identify local reactivity sites and the crystal structure has been compared with the optimized geometry with good correlation among them. The acceptor properties of the Aqdpp ligand are shown by the orbital map for the LUMO level contributed mainly by the quinonic region of the ligand.
dc.fechaingreso.objetodigital2024-05-02
dc.format.extent7 páginas
dc.fuente.origenWOS
dc.identifier.doi10.1039/a707858g
dc.identifier.issn1472-779X
dc.identifier.urihttps://doi.org/10.1039/a707858g
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/78729
dc.identifier.wosidWOS:000073149400019
dc.information.autorucQuímica;Loeb B;S/I;99560
dc.issue.numero4
dc.language.isoen
dc.nota.accesocontenido parcial
dc.pagina.final883
dc.pagina.inicio877
dc.publisherROYAL SOC CHEMISTRY
dc.revistaJOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2
dc.rightsacceso restringido
dc.subjectMAXIMUM HARDNESS
dc.subjectELECTROSTATIC POTENTIALS
dc.subjectCOMPLEXES
dc.subjectPRINCIPLE
dc.subjectLIGAND
dc.subjectRHENIUM(I)
dc.subject.ods03 Good Health and Well-being
dc.subject.odspa03 Salud y bienestar
dc.titleSynthesis, crystal structure, molecular orbital calculations and electronic properties of 2,3-di(2-pyridyl)naphtho[2,3-f]quinoxaline-7,12-quinone (Aqdpp)
dc.typeartículo
sipa.codpersvinculados99560
sipa.indexWOS
sipa.trazabilidadCarga SIPA;09-01-2024
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