Тип публикации: статья из журнала
Год издания: 2020
Идентификатор DOI: 10.3390/molecules25071620
Ключевые слова: phthalocyanines; single crystal structure; thin films; X-ray diffraction; vibrational spectra; DFT calculations , SOLVENT-FREE; METALLOPHTHALOCYANINES; IRRADIATION; RESOLUTION; GROWTH , dft calculations, phthalocyanines, single crystal structure, thin films, vibrational spectra, x-ray diffractionchloride, 16887-00-6, chlorides, copper phthalocyanine, indoles, organometallic compounds
Аннотация: In this work, the tetra-, octa- and hexadecachloro-substituted copper phthalocyanines CuPcClx (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 cПоказать полностьюalculations. The structure of a CuPcCl4 single crystal grown by sublimation in vacuum was refined for the first time. The effect of chloro-substitution on the structure of CuPcClx thin films deposited in a vacuum onto a glass substrate at 50 and 200 degrees C was studied. It was shown that CuPcCl4 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 degrees C. Introduction of more Cl-substituents into the phthalocyanine macrocycle leads to the formation of amorphous films on the substrates at 50 degrees C. At the elevated substrate temperature, the growth of polycrystalline disordered films was observed for all three copper phthalocyanines.
Журнал: Molecules
Выпуск журнала: Vol. 25, Is. 7
Номера страниц: 1620
ISSN журнала: 14203049
Место издания: BASEL
Издатель: MDPI