Vibrational spectroscopic analysis of 3-hydroxy-1,5-diazacyclooctane and its copper(II) complex

Vibrational spectroscopic analysis of 3-hydroxy-1,5-diazacyclooctane and its copper(II) complex

The changes in the vibrational spectra between 3‐hydroxy‐1,5‐diazacyclooctane and its copper(II) complex were studied by Fourier transform Raman and infrared spectroscopy for the first time. The vibrational bands near 472 and 204 cm−1 were assigned to the Cu–N and Cu–O stretching vibrations in the c...

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Veröffentlicht in:Journal of Raman spectroscopy 2001-12, Vol.32 (12), p.1059-1063
Hauptverfasser: He, Lian, Hu, Ji-Ming, Luo, Ming-Dao, Xue, Guo-Ping, Ye, Yong, Niu, Fei, Gu, Ying-Hong, Liu, Sheng-Hua, Fu, En-Qin, Luo, Bao-Sheng, Chen, Liao-Rong, Wu, Cheng-Tai
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Sprache:eng
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Zusammenfassung:The changes in the vibrational spectra between 3‐hydroxy‐1,5‐diazacyclooctane and its copper(II) complex were studied by Fourier transform Raman and infrared spectroscopy for the first time. The vibrational bands near 472 and 204 cm−1 were assigned to the Cu–N and Cu–O stretching vibrations in the copper(II) complex, respectively. CNDO/2M and AM1 methods were used to calculate Mulliken orders and bond distances on the basis of the copper(II) complex's crystal structure. The mechanism of the changes in the vibrational spectra is discussed. Copyright © 2001 John Wiley & Sons, Ltd.
ISSN:0377-0486
1097-4555
DOI:10.1002/jrs.799