Exploring Uncharted Territory: Spectroscopic Evidence on a Novel Tetrel Bond with −C≡C– Triple Bond

This study presents an investigation of the 2-butynyl alcohol···CO<sub>2</sub> adduct, combining pulsed jet Fourier transform microwave spectroscopy with quantum chemical calculations. Two distinct isomers have been observed in the pulsed jet with a relative population ratio of 3/2. It marks the first instance of microwave spectroscopic evidence, to the best of our knowledge, suggesting the existence of a C<sub>CO<sub>2</sub></sub>···π<sub>-C≡C-</sub> tetrel bond (π<sub>-C≡C-</sub>···π*<sub>CO<sub>2</sub></sub> interaction) in both observed isomers. This study highlights the importance of noncovalent interactions involving CO<sub>2</sub> in reactant complexes, paving the way for more efficient applications of CO<sub>2</sub> by understanding the physical basis of these noncovalent bonds.

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Publication Details

Journal
The Journal of Physical Chemistry Letters
Published
2024-08-16
DOI
https://doi.org/10.1021/acs.jpclett.4c02085
Citations
5
Primary Topic
Molecular Spectroscopy and Structure
Type
article
Field-Weighted Citation Impact
1.20
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article

Exploring Uncharted Territory: Spectroscopic Evidence on a Novel Tetrel Bond with −C≡C– Triple Bond

Yue Jiang, Xiaodong Wen, Qian Gou, He Wang et al.
5 citations
The Journal of Physical Chemistry Letters
Molecular Spectroscopy and Structure
1.20
article

Exploring Uncharted Territory: Spectroscopic Evidence on a Novel Tetrel Bond with −C≡C– Triple Bond

Yue Jiang, Xiaodong Wen, Qian Gou, He Wang, Zhenhua Zhang, Hao Wang, Junfeng Kang, Junhua Chen, Xingchen Liu, Qing Tian, Hong Mei, Xuefang Xu
article en
5 citations

Abstract

This study presents an investigation of the 2-butynyl alcohol···CO<sub>2</sub> adduct, combining pulsed jet Fourier transform microwave spectroscopy with quantum chemical calculations. Two distinct isomers have been observed in the pulsed jet with a relative population ratio of 3/2. It marks the first instance of microwave spectroscopic evidence, to the best of our knowledge, suggesting the existence of a C<sub>CO<sub>2</sub></sub>···π<sub>-C≡C-</sub> tetrel bond (π<sub>-C≡C-</sub>···π*<sub>CO<sub>2</sub></sub> interaction) in both observed isomers. This study highlights the importance of noncovalent interactions involving CO<sub>2</sub> in reactant complexes, paving the way for more efficient applications of CO<sub>2</sub> by understanding the physical basis of these noncovalent bonds.

The Journal of Physical Chemistry LettersVol. 15(34)
Guiyang Medical University (CN), Chongqing University (CN), Institute of Coal Chemistry (CN), University of Chinese Academy of Sciences (CN)
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Openalex Percentile: Top 24%
Molecular Spectroscopy and Structure
1.20
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Exploring Uncharted Territory: Spectroscopic Evidence on a Novel Tetrel Bond with −C≡C– Triple Bond — Yue Jiang, Xiaodong Wen, et al. · The Journal of Physical Chemistry Letters (2024) | TGRS Research Map | TGRS