Calculation of the electron structure of zinc phthalocyanine by the method of molecular orbitals View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

1999-11

AUTHORS

O. N. Bubel', E. F. Kislyakov, D. I. Sagaidak, G. G. Fedoruk

ABSTRACT

The geometry and the electron structure of the ground state of a zinc-phthalocyanine (Zn-Pc) molecule are calculated by the MNDO method. The results of calculation are compared with x-ray structural data and with the data on the UV photoelectron spectroscopy of Zn-Pc in the gaseous, phase. Dipole instability of the ground state of Zn-Pc is predicted. More... »

PAGES

896-900

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf02675193

DOI

http://dx.doi.org/10.1007/bf02675193

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1040346249


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