TY - JOUR

T1 - Effect of fluorosubstitution on the structure of single crystals, thin films and spectral properties of palladium phthalocyanines

AU - Sukhikh, Aleksandr S.

AU - Klyamer, Darya D.

AU - Parkhomenko, Roman G.

AU - Krasnov, Pavel O.

AU - Gromilov, Sergey A.

AU - Hassan, Aseel K.

AU - Basova, Tamara V.

PY - 2018/2/1

Y1 - 2018/2/1

N2 - 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.

AB - 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.

KW - Crystal structure

KW - Film structure

KW - Palladium phthalocyanines

KW - Polymorphism

KW - Thin films

KW - APPROXIMATION

KW - HEXADECAFLUOROPHTHALOCYANINATOZINC

KW - METAL PHTHALOCYANINES

KW - ATOMS LI

KW - ORIENTATION

KW - GROWTH

KW - X-RAY

KW - TRANSITIONS

KW - GAUSSIAN-BASIS SETS

KW - MORPHOLOGY

UR - http://www.scopus.com/inward/record.url?scp=85032861925&partnerID=8YFLogxK

U2 - 10.1016/j.dyepig.2017.10.024

DO - 10.1016/j.dyepig.2017.10.024

M3 - Article

AN - SCOPUS:85032861925

VL - 149

SP - 348

EP - 355

JO - Dyes and Pigments

JF - Dyes and Pigments

SN - 0143-7208

ER -