Infrared and Raman spectra of tris(dipivaloylmethanato) lanthanides, Ln(thd)₃ (Ln = La, Nd, Eu, Gd, Tb, Ho, Er, Tm, Yb, Lu)

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• 作者：Natalya V. Belova^a ; ^{belova@isuct.ru} ; Valery V. Sliznev^a ; Dines Christen^b
• 关键词：Infrared spectra ; Raman spectra ; Molecular structure ; Quantum chemical calculations ; Tris(dipivaloylmethanato) lanthanides
• 刊名：Journal of Molecular Structure
• 出版年：2017
• 出版时间：15 March 2017
• 年：2017
• 卷：1132
• 期：Complete
• 页码：34-43
• 全文大小：2885 K
• 卷排序：1132

文摘

The infrared and Raman vibrational spectra of Ln(thd)3 series have been recorded at room temperature over wide ranges. The experimental spectra were successfully assigned based on the quantum chemical calculations (DFT/PBE0). The main contributions to vibrational modes arise from the vibrations of the ligand. There is a rise in the frequencies associated with vibrations of the coordination polyhedron LnO6 in this series.