Nikolaev Institute of Inorganic Chemistry SB RAS, 3 Lavrentiev Pr., 630090 Novosibirsk, Russia.
Laboratory of non-linear optics and spectroscopy, Siberian Federal University, 79 Svobodny prospect, 660041 Krasnoyarsk, Russia.
Molecules. 2020 Apr 1;25(7):1620. doi: 10.3390/molecules25071620.
In this work, the tetra-, octa- and hexadecachloro-substituted copper phthalocyanines CuPcCl (where x can equal 4, 8 or 16) were investigated by the methods of vibrational (IR and Raman) spectroscopy and X-ray diffraction. The assignment of the most intense bands, both in IR and Raman spectra, was carried out on the basis of DFT calculations. The structure of a CuPcCl single crystal grown by sublimation in vacuum was refined for the first time. The effect of chloro-substitution on the structure of CuPcCl thin films deposited in a vacuum onto a glass substrate at 50 and 200 °C was studied. It was shown that CuPcCl formed polycrystalline films with the preferential orientation of the (100) crystallographic plane of crystallites parallel to the substrate surface when deposited on a substrate at 50 °C. Introduction of more Cl-substituents into the phthalocyanine macrocycle leads to the formation of amorphous films on the substrates at 50 °C. At the elevated substrate temperature, the growth of polycrystalline disordered films was observed for all three copper phthalocyanines.
在这项工作中，我们通过振动（IR 和 Raman）光谱和 X 射线衍射研究了四氯、八氯和十六氯取代的铜酞菁 CuPcCl（其中 x 可以等于 4、8 或 16）。根据 DFT 计算，对 IR 和 Raman 光谱中最强烈的谱带进行了归属。首次对真空升华生长的 CuPcCl 单晶的结构进行了精修。研究了在 50 和 200°C 下真空沉积到玻璃基底上的 CuPcCl 薄膜中氯取代对薄膜结构的影响。结果表明，当在 50°C 下沉积在基底上时，CuPcCl 形成了具有平行于基底表面的晶面（100）择优取向的多晶薄膜。在酞菁大环中引入更多的 Cl 取代基会导致在 50°C 下在基底上形成非晶薄膜。在升高的基底温度下，所有三种铜酞菁都观察到多晶无序薄膜的生长。
