Insights into the Fluxional Processes of Monomethylcyclohexenyl Manganese Tricarbonyl
Abstract
:1. Introduction
2. Results and Discussion
2.1. Structure and Bonding
2.2. Exchange Processes
2.2.1. Isomerization of η3 Agostomers
2.2.2. Hydride Species Conversions
2.3. Interpretations of the Fluxionality
3. Computational Methods
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Structures | Mn-H (Å) | Mn-H-C (°) | C-H (Å) | H (ppm) | JCH (Hz) | |||
---|---|---|---|---|---|---|---|---|
endo | exo | endo | exo | endo | exo | |||
1 | 1.849 (1.860) | 97.6 (99.9) | 1.180 | 1.104 | −9.8 | 1.7 | 68.4 | 123.3 |
2 | 1.844 | 97.9 | 1.179 | 1.103 | −9.9 | 1.8 | 68.8 | 124.6 |
3 | 2.051 | 104.6 | 1.136 | 1.107 | −5.2 | 0.4 | 83.1 | 117.6 |
4 | 1.958 | 130.0 | 1.131 | 1.105 | −8.7 | 1.5 | 82.3 | 113.5 |
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© 2023 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
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Liang, G.; Zhang, M. Insights into the Fluxional Processes of Monomethylcyclohexenyl Manganese Tricarbonyl. Molecules 2023, 28, 3232. https://doi.org/10.3390/molecules28073232
Liang G, Zhang M. Insights into the Fluxional Processes of Monomethylcyclohexenyl Manganese Tricarbonyl. Molecules. 2023; 28(7):3232. https://doi.org/10.3390/molecules28073232
Chicago/Turabian StyleLiang, Guangchao, and Min Zhang. 2023. "Insights into the Fluxional Processes of Monomethylcyclohexenyl Manganese Tricarbonyl" Molecules 28, no. 7: 3232. https://doi.org/10.3390/molecules28073232