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FOURIER TRANSFORM FAR INFRARED SPECTRA AND NORMAL COORDINATE ANALYSIS OF FIFTEEN RARE-EARTH OXALATE HYDRATES

FOURIER TRANSFORM FAR INFRARED SPECTRA AND NORMAL COORDINATE ANALYSIS OF FIFTEEN RARE-EARTH OXALATE HYDRATES
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摘要 The Fourier transform far infrared spectra of oxalate hydrates of whole rare-earth series except Pm and Sc are investigated in the range of 100-400 cm^(-1). The assignment of vibrational frequencies is made on the basis of normal coordinate analysis using our NORVIB program. The model used for the hghter elements of the lanthanide series (La to Eu) is based on the crystal structure of Nd_2(C_2O_4)_3. 10H_2O, in which each lanthanide ion is surrounded by nine O atoms, six from three oxalate ions and three from Water molecules.The model adopted for the heavier elements of the lanthanide series (Gd to Lu) and Ytterbium is based on the crystal structure of Yb_2(C_2O_4)_3· 6H_2O, in which each ion is surrounded by eight atoms, six from three oxalate ions and two from water molecules. The variation of the metal-ligand frequencies and force constants with the atomic numbers of lanthanides is plotted and discussed. The Fourier transform far infrared spectra of oxalate hydrates of whole rare-earth series except Pm and Sc are investigated in the range of 100-400 cm<sup>-1</sup>. The assignment of vibrational frequencies is made on the basis of normal coordinate analysis using our NORVIB program. The model used for the hghter elements of the lanthanide series (La to Eu) is based on the crystal structure of Nd<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>. 10H<sub>2</sub>O, in which each lanthanide ion is surrounded by nine O atoms, six from three oxalate ions and three from Water molecules.The model adopted for the heavier elements of the lanthanide series (Gd to Lu) and Ytterbium is based on the crystal structure of Yb<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>· 6H<sub>2</sub>O, in which each ion is surrounded by eight atoms, six from three oxalate ions and two from water molecules. The variation of the metal-ligand frequencies and force constants with the atomic numbers of lanthanides is plotted and discussed.
出处 《Science China Chemistry》 SCIE EI CAS 1989年第3期293-302,共10页 中国科学(化学英文版)
关键词 Fourier transform infrared spectroscopy (FTIR) normal coordinate analysis RARE-EARTH OXALATES or LANTHANIDE OXALATES far IR spectra. Fourier transform infrared spectroscopy (FTIR), normal coordinate analysis, rare-earth oxalates or lanthanide oxalates, far IR spectra.
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