In this work, the crystalline structure of single crystals grown by vacuum sublimation of unsubstituted palladium phthalocyanines (PdPc), its tetrafluorinated (PdPcF₄) and hexadecafluorinated (PdPcF₁₆) derivatives have been investigated using X-ray diffraction measurements. Two crystalline phases have been identified for PdPc; the molecules in both phases crystallize in stacks with herringbone arrangement in the monoclinic space groups (C2/c for α-PdPc; P2₁/n for γ-PdPc). Both PdPcF₄ and PdPcF₁₆ crystallize in the triclinic P-1 space group, forming stacks of molecules in columnar arrangement with molecules in adjacent columns aligned parallel to one another. X-ray diffraction measurements have also been used to elucidate the structural features and molecular orientation of thin films of PdPc, PdPcF₄ and PdPcF₁₆, grown by organic molecular beam deposition at different substrate temperatures. The effect of fluorosubstitution on UV-visible optical absorption and vibrational spectra of palladium phthalocyanine derivatives is also discussed.

在这项工作中，通过X射线衍射测量研究了通过真空升华未取代的钯酞菁（PdPc），其四氟化（PdPcF ₄）和十六氟化（PdPcF ₁₆）衍生物而生长的单晶的晶体结构。对于PdPc，已经确定了两个结晶相。在单斜空间群中，两相分子均以人字形排列堆叠（α-PdPc为C 2 / c；γ-PdPc为P2 ₁ / n）。PdPcF ₄和PdPcF ₁₆在三斜P-1空间群中结晶，形成柱状排列的分子堆叠，相邻列中的分子彼此平行排列。X射线衍射测量也已用于阐明通过有机分子束沉积在不同基板温度下生长的PdPc，PdPcF ₄和PdPcF ₁₆薄膜的结构特征和分子取向。还讨论了氟取代对钯酞菁衍生物的紫外可见光吸收和振动光谱的影响。