三斜晶系
结晶学
互易晶格
铜
薄膜
材料科学
衍射
化学
作者
Berthold Reisz,Valentina Belova,Giuliano Duva,Clemens Zeiser,Martin Hodas,Jakub Hagara,Peter Siffalovic,Linus Pithan,Takuya Hosokai,Alexander Hinderhofer,Alexander Gerlach,Frank Schreiber
标识
DOI:10.1107/s1600576720015472
摘要
Many polymorphic crystal structures of copper phthalocyanine (CuPc) have been reported over the past few decades, but despite its manifold applicability, the structure of the frequently mentioned α polymorph remained unclear. The base-centered unit cell (space group C 2/ c ) suggested in 1966 was ruled out in 2003 and was replaced by a primitive triclinic unit cell (space group P 1 ). This study proves unequivocally that both α structures coexist in vacuum-deposited CuPc thin films on native silicon oxide by reciprocal space mapping using synchrotron radiation in grazing incidence. The unit-cell parameters and the space group were determined by kinematic scattering theory and provide possible molecular arrangements within the unit cell of the C 2/ c structure by excluded-volume considerations. In situ X-ray diffraction experiments and ex situ atomic force microscopy complement the experimental data further and provide insight into the formation of a smooth thin film by a temperature-driven downward diffusion of CuPc molecules during growth.
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