Affiliation:
1. Beijing Key Laboratory for Science and Application of Functional Molecular and Crystalline Materials, Department of Chemistry, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing 100083, China
Abstract
The Raman spectra of the mixed (naphthalocyaninato)[tetrakis(4-[Formula: see text]-butylphenyl)porphyrinato] rare earth double-decker compounds M(Nc)(TBPP) (M = Y, La, Ce, Eu, Dy, Lu) were studied with Density Functional Theory for the first time. The results reveal the fingerprint band for naphthalocyanine to be around 1455–1615 cm[Formula: see text] and porphyrin around 693–749 cm[Formula: see text]. Coupled Nc–Por ring–ring interaction vibration modes are also detected at 1470–1522 cm[Formula: see text], owing to the stretching between the central metal and the N atoms. These vibration modes are recognized as the dominating components in the Raman spectra of those double-decker compounds.
Publisher
World Scientific Pub Co Pte Lt