Near-infrared-emitting phthalocyanines. A combined experimental and density functional theory study of the structural, optical, and photophysical properties of Pd (II) …

…, MAJ Rodgers, A Rosa, G Ricciardi

Index: Soldatova, Alexandra V.; Kim, Junhwan; Peng, Xinzhang; Rosa, Angela; Ricciardi, Giampaolo; Kenney, Malcolm E.; Rodgers, Michael A. J. Inorganic Chemistry, 2007 , vol. 46, # 6 p. 2080 - 2093

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Citation Number: 27

Abstract

The structural, optical and photophysical properties of 1, 4, 8, 11, 15, 18, 22, 25-octabutoxy- phthalocyaninato palladium (II), PdPc (OBu) 8, and the newly synthesized platinum analogue PtPc (OBu) 8 are investigated combining X-ray crystallography, static and transient absorption spectroscopy, and relativistic zeroth-order regular approximation (ZORA) DFT/TDDFT calculations where spin− orbit coupling (SOC) effects are explicitly ...