Coordination between cobalt (II) ion and carbonyl group in acetone probed by using DAOSD approach

•We applied the DAOSD approach to probe weak coordination between Co2+ and acetone.•Subtle spectral variation on carbonyl band and d–d transition band are revealed.•The spectral variation suggests coordination occur between acetone and Co2+.•Coordination between acetone and Co2+ is further confirmed...

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Bibliographic Details
Published in:Journal of molecular structure 2014-07, Vol.1069, p.217-222
Main Authors: Liu, Jun, Gao, Yunlong, Zheng, Lirong, Gao, Danqing, He, Anqi, Liu, Yuhai, Weng, Shifu, Zhao, Ying, Yang, Zhanlan, Yang, Limin, Wen, Xiaodong, Xu, Yizhuang, Noda, Isao, Wu, Jinguang
Format: Article
Language:English
Subjects:
2D correlation spectroscopy
Acetone
Band spectra
Carbonyls
Co2
Cobalt
Coordination
Coordination numbers
Methyl alcohol
Spectra
Two dimensional
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Summary:•We applied the DAOSD approach to probe weak coordination between Co2+ and acetone.•Subtle spectral variation on carbonyl band and d–d transition band are revealed.•The spectral variation suggests coordination occur between acetone and Co2+.•Coordination between acetone and Co2+ is further confirmed by EXAFS results. We applied a newly developed technique of the DAOSD (Double Asynchronous Orthogonal Sample Design) approach to probe weak coordination between Co2+ ions and acetone. Subtle spectral variation on the carbonyl band of acetone and d–d transition band are revealed via cross peaks of 2D asynchronous spectra generated by using the DAOSD approach. These results suggest that coordination occur between cobalt ions and the carbonyl group of acetone. To confirm whether coordination occur between cobalt ions and acetone, EXAFS experiments are utilized. The EXAFS results reveal that a Co2+ is coordinated by six methanol molecules in anhydrous CoCl2/methanol solution. Upon addition of acetone in into the anhydrous CoCl2/methanol solution, the coordination number of Co2+ ion becomes four, and one coordinating oxygen atom is replaced by a chlorine atom. We infer that the decrease in coordination number of Co2+ ion is due to the participation of the carbonyl oxygen of acetone in the coordination since the size of acetone is larger than methanol. This result provides an alternative evidence to support the conclusion that Co2+ ions coordinate with acetone, which is separately obtained from the 2D asynchronous spectra generated by using the DAOSD approach.
ISSN:0022-2860
1872-8014
DOI:10.1016/j.molstruc.2014.02.036