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Resonance Raman spectra of phthalocyanine monolayers on different supports. A normal mode analysis of zinc phthalocyanine by means of the MNDO method
Author(s) -
Palys Barbara J.,
van den Ham Dirk M. W.,
Briels Wim,
Feil Dirk
Publication year - 1995
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1250260111
Subject(s) - mndo , raman spectroscopy , monolayer , phthalocyanine , chemistry , resonance (particle physics) , zinc , resonance raman spectroscopy , spectral line , computational chemistry , analytical chemistry (journal) , crystallography , molecule , organic chemistry , atomic physics , optics , biochemistry , physics , astronomy
Resonance Raman spectra of monolayers of transition metal phthalocyanines reveal specific interaction with the support. To elucidate its mechanism, Raman spectra of zinc phthalocyanine monolayers were studied. The analysis was based largely on the results of MNDO calculations. Calculated wavenumbers turned out to be in good agreement with the experimental results. It seems plausible that the α‐nitrogen atoms dominate the interaction with the support. Calculation results also show that the usually assumed D 4 h geometry does not represent the true energy minimum but must be considered as the ‘mean’ of two mesomeric forms.