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Volume: 16 | Article ID: art00014_2
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Crystal Structure of Magnesiumphthalocyanine and its Polarized Spectra
  DOI :  10.2352/ISSN.2169-4451.2000.16.1.art00014_2  Published OnlineJanuary 2000
Abstract

The electronic structure of magnesiumphthalocyanine (MgPc) has been investigated on single crystals grown from the vapor phase. MgPc is found to crystallize in the space group of P21/a (monoclinic): Z=2, a=18.971(2), b=4.916(2), c=14.401(2) Å, β=119.890(9). The MgPc molecule is not flat, but the Mg atom is projected out of the plane of the four central nitrogen atoms by about 0.45 Å, forming a pyramidal structure (c1 symmetry). The present molecular deformation has, however, no significant influence on the optical absorption according to the MO spectroscopic calculations. On the other hand, the molecular distortion induces a drastic change in the direction of the transition dipoles, so that the interactions between transition dipoles in the solid state are strikingly different from those of ordinary phthalocyanines and the polarized reflection spectra look therefore quite unique.

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Ayae Endo, Shinya Matsumoto, Jin Mizuguchi, "Crystal Structure of Magnesiumphthalocyanine and its Polarized Spectrain Proc. IS&T Int'l Conf. on Digital Printing Technologies (NIP16),  2000,  pp 468 - 471,  https://doi.org/10.2352/ISSN.2169-4451.2000.16.1.art00014_2

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