Accession Number : ADA210515


Title :   Application of the Angular Overlap Model to Lanthanide Phthalocyanines (Aplicacion Del Modelo de Traslape Angular a Ftalocinaninas de Lantanidos)


Descriptive Note : Technical rept. no. 15


Corporate Author : NORTH CAROLINA UNIV AT CHAPEL HILL DEPT OF CHEMISTRY


Personal Author(s) : Padilla, Juan ; Hatfield, William E


Full Text : https://apps.dtic.mil/dtic/tr/fulltext/u2/a210515.pdf


Report Date : 15 Jul 1989


Pagination or Media Count : 14


Abstract : The magnetic properties of praseodymium, neodymium, gadolinium, holmium, erbium, and lutetium phthalocyanines are described according to magnetic susceptibility measurements measured in the 80-300 K or 4.2-300K range. Sigma and pi interactions between the pyrrolic nitrogen and the orbitals of praseodymium, neodymium, holmium, and erbium were obtained using the angular overlap model (AOM). The calculations included the complete ground-state manifold of the respective lanthanide ions. The position of the pyrrolic nitrogen ligand in the metallic two dimensional spectrochemical series is presented. The results show that the pyrrolic nitrogen is a weak sigma donor and a moderate pi donor.


Descriptors :   *MAGNETIC PROPERTIES , *PHTHALOCYANINES , *RARE EARTH COMPOUNDS , *OVERLAP , *IONS , *NITROGEN , ELECTRON DONORS , LUTETIUM , NEODYMIUM , PRASEODYMIUM , RARE EARTH ELEMENTS , GADOLINIUM , LOW STRENGTH , ERBIUM , MOLECULAR ORBITALS , HOLMIUM , PYRROLES , LIGANDS , SPECTROSCOPY , MODELS , MEASUREMENT , ANGLES , GROUND STATE


Subject Categories : Organic Chemistry
      Physical Chemistry


Distribution Statement : APPROVED FOR PUBLIC RELEASE