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On the Electronic Molecular Structure of the Organic Semiconductor Copper Phthalocyanine
Author(s) -
Malter H.
Publication year - 1976
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220740222
Subject(s) - eigenfunction , eigenvalues and eigenvectors , formalism (music) , molecular orbital , copper , copper phthalocyanine , phthalocyanine , molecule , spectral line , semiconductor , organic semiconductor , chemistry , electronic structure , computational chemistry , molecular physics , materials science , quantum mechanics , physics , organic chemistry , optoelectronics , art , musical , visual arts
The electronic eigenvalue problem of the molecule of copper phthalocyanine is approximated using the molecular orbital formalism. The symmetry of the molecule allows a group theoretical reduction of the secular equations and a classification of the eigenvalues and eigenfunction coefficients. The model statements are compared with the experimental molecular spectra in the vapour phase and in solution from the near UV to the near IR.