Modulating the Amine-CO2 Interaction Strength: Toward Efficient Carbon Capture

Research output: Contribution to journal › Article › Research › peer review

Authors

  • Junlin Lan
  • Chenxu Wang
  • Meiyue Li
  • Chunguo Duan
  • Hao Wang
  • Junhua Chen
  • Jens Uwe Grabow
  • Wolfgang Jäger
  • Yunjie Xu
  • Qian Gou

Research Organisations

External Research Organisations

  • Chongqing University
  • Chinese Academy of Sciences (CAS)
  • Guiyang Medical College
  • University of Alberta
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Details

Original languageEnglish
Pages (from-to)10661-10667
Number of pages7
JournalJournal of Physical Chemistry Letters
Volume15
Issue number42
Early online date16 Oct 2024
Publication statusPublished - 24 Oct 2024

Abstract

This study contributes to a comprehensive understanding of the interactions between CO2 and amines at the molecular level by exploring the rotational spectra of binary complexes between CO2 and eight different amines through pulsed-jet Fourier transform microwave spectroscopy and quantum chemical calculations. The findings reveal a consistent pattern in which CO2 is bonded to the amino group, primarily through a C···N tetrel bond, while being supported by C-H···O/C hydrogen bonds. Notably, the binding energies increase from primary through tertiary amines and with increasing chain length of the alkyl groups. These groups are found to enhance the electron density at the amino group significantly, thereby facilitating the formation of stronger C···N tetrel bonds. The insights provided into how the interaction strength is modulated by the geometries of amines are deemed essential for the design of more effective CO2 adsorption materials, thus advancing carbon capture technologies.

ASJC Scopus subject areas

Cite this

Modulating the Amine-CO2 Interaction Strength: Toward Efficient Carbon Capture. / Lan, Junlin; Wang, Chenxu; Li, Meiyue et al.
In: Journal of Physical Chemistry Letters, Vol. 15, No. 42, 24.10.2024, p. 10661-10667.

Research output: Contribution to journal › Article › Research › peer review

Lan, J, Wang, C, Li, M, Duan, C, Wang, H, Chen, J, Grabow, JU, Jäger, W, Xu, Y & Gou, Q 2024, 'Modulating the Amine-CO2 Interaction Strength: Toward Efficient Carbon Capture', Journal of Physical Chemistry Letters, vol. 15, no. 42, pp. 10661-10667. https://doi.org/10.1021/acs.jpclett.4c02372
Lan, J., Wang, C., Li, M., Duan, C., Wang, H., Chen, J., Grabow, J. U., Jäger, W., Xu, Y., & Gou, Q. (2024). Modulating the Amine-CO2 Interaction Strength: Toward Efficient Carbon Capture. Journal of Physical Chemistry Letters, 15(42), 10661-10667. https://doi.org/10.1021/acs.jpclett.4c02372
Lan J, Wang C, Li M, Duan C, Wang H, Chen J et al. Modulating the Amine-CO2 Interaction Strength: Toward Efficient Carbon Capture. Journal of Physical Chemistry Letters. 2024 Oct 24;15(42):10661-10667. Epub 2024 Oct 16. doi: 10.1021/acs.jpclett.4c02372
Lan, Junlin ; Wang, Chenxu ; Li, Meiyue et al. / Modulating the Amine-CO2 Interaction Strength : Toward Efficient Carbon Capture. In: Journal of Physical Chemistry Letters. 2024 ; Vol. 15, No. 42. pp. 10661-10667.
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abstract = "This study contributes to a comprehensive understanding of the interactions between CO2 and amines at the molecular level by exploring the rotational spectra of binary complexes between CO2 and eight different amines through pulsed-jet Fourier transform microwave spectroscopy and quantum chemical calculations. The findings reveal a consistent pattern in which CO2 is bonded to the amino group, primarily through a C···N tetrel bond, while being supported by C-H···O/C hydrogen bonds. Notably, the binding energies increase from primary through tertiary amines and with increasing chain length of the alkyl groups. These groups are found to enhance the electron density at the amino group significantly, thereby facilitating the formation of stronger C···N tetrel bonds. The insights provided into how the interaction strength is modulated by the geometries of amines are deemed essential for the design of more effective CO2 adsorption materials, thus advancing carbon capture technologies.",
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AU - Lan, Junlin

AU - Wang, Chenxu

AU - Li, Meiyue

AU - Duan, Chunguo

AU - Wang, Hao

AU - Chen, Junhua

AU - Grabow, Jens Uwe

AU - Jäger, Wolfgang

AU - Xu, Yunjie

AU - Gou, Qian

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