open access

https://hdl.handle.net/2115/91734

Multidynamic Crystalline Molecular Rotors Comprising an N-Heterocyclic Carbene Binuclear Au(I) Complex Bearing Multiple Rotators

英語

NHC metal complex

2023-03-21

Wiley-Blackwell

European journal of organic chemistry

26(12)

e202201468

We report multidynamic molecular rotations in crystals using a concave-shape N-heterocyclic carbene (NHC) binuclear Au(I) complex rotor bearing pyrazine and tetrahydrofuran (THF) molecules as multicomponent rotators. Single-crystal X-ray diffraction (XRD) measurements revealed that two THF molecules are located near the central pyrazine encapsulated by two bulky NHC ligands. From H-2 solid-state NMR analysis, it was observed that the pyrazine rotated in a 2-fold site exchange with a 180 degrees rotational angle and a 31 kJ mol(-1) energy barrier, while the THF molecules showed a 23 degrees-38 degrees libration with a lower energy barrier (14 kJ mol(-1)). Interestingly, the pyrazine rotation was accelerated when the THF molecules rotated in fast site exchange with a large angle of libration, suggesting that the rotators exhibit multidynamics in a correlated manner.

学術雑誌論文

Accepted Manuscript

This is the peer reviewed version of the following article: [Jin, M., Matsuura, S., Yamamoto, H., Mizuno, M., Ito, H., Eur. J. Org. Chem. 2023, 26, e202201468], which has been published in final form at https://doi.org/10.1002/ejoc.202201468. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions. This article may not be enhanced, enriched or otherwise transformed into a derivative work, without express permission from Wiley or by statutory rights under applicable legislation. Copyright notices must not be removed, obscured or modified. The article must be linked to Wiley’s version of record on Wiley Online Library and any embedding, framing or otherwise making available the article or pages thereof by third parties from platforms, services and websites other than Wiley Online Library must be prohibited.

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