Citation: Baoling Tian, Shujuan Li, Shulai Lei, Liangxu Lin, Wenyue Guo, Hao Ren. Structural insights of catalytic intermediates in dialumene based CO₂ capture: Evidences from theoretical resonance Raman spectra[J]. Chinese Chemical Letters, ;2021, 32(8): 2469-2473. doi: 10.1016/j.cclet.2021.02.011 shu

Structural insights of catalytic intermediates in dialumene based CO₂ capture: Evidences from theoretical resonance Raman spectra

Baoling Tian ^a ,
Shujuan Li ^b ,
Shulai Lei ^{b, *} ,
Liangxu Lin ^c ,
Wenyue Guo ^d ,
Hao Ren ^{d, *}

a.
College of Chemistry and Pharmaceutical Sciences, Qingdao Agricultural University, Qingdao 266109, China
b.
Hubei Key Laboratory of Low Dimensional Optoelectronic Materials and Devices, Hubei University of Arts and Science, Xiangyang 441053, China
c.
ARC Centre of Excellence for Electromaterials Science, Intelligent Polymer Research Institute, Australia Institute for Innovative Materials (AⅡM), Innovation Campus, University of Wollongong, Wollongong 2519, Australia
d.
School of Materials Science and Engineering, China University of Petroleum (East China), Qingdao 266580, China

sllei@hbuas.edu.cn

renh@upc.edu.cn

Received Date: 25 December 2020
Revised Date: 1 February 2021
Accepted Date: 6 February 2021
Available Online: 9 February 2021

Figures(5)

CO₂ capture is considered as one of the most ideal strategies for solving the environmental issues and against global warming. Recently, experimental evidence has suggested that aluminum double bond (dialumene) species can capture CO₂ and further convert it into value-added products. However, the catalytic application of these species is still in its infancy. Both the dynamics mechanism of CO₂ fixation and the detailed structures of catalytic intermediates are not well understood. In this work, we investigate the structure dependent resonance Raman (RR) signals for different reaction intermediates. Ab-initio simulations of spontaneous resonance Raman (spRR) and time-domain stimulated resonance Raman (stRR) give spectral signatures correlated to the existence of different intermediates during the CO₂-dialumene binding process. The unique Raman vibronic features contain rich structural information with high temporal resolution, enabling to monitor the transient catalytic intermediates under reaction conditions. Our work shows that RR can be used to monitor intermediates during the dialumene based CO₂ capture reaction. The spectral features not only provide insight into the structural information of intermediate species, but also allow a deeper understanding of the dynamical details of this kind of catalytic process.
- Resonance Raman,
- Ab initio,
- Catalytic intermediate,
- Dialumene,
- CO₂ capture,
- Ultrafast spectroscopy
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通讯作者: 陈斌, bchen63@163.com

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沈阳化工大学材料科学与工程学院沈阳 110142

Structural insights of catalytic intermediates in dialumene based CO2 capture: Evidences from theoretical resonance Raman spectra

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通讯作者: 陈斌, bchen63@163.com

Structural insights of catalytic intermediates in dialumene based CO₂ capture: Evidences from theoretical resonance Raman spectra