Journal article
Characterizing X‑Ray and Solution State Conformations for a Model Qubit System: {Cr 7 Ni} Ring Rotaxanes on a Mixed Metal Triangle
- Abstract:
- The synthesis of a series of [4]rotaxanes, each consisting of three [2]rotaxanes joined via a central {CrNi2} triangular linker, is reported. The resultant four [4]rotaxanes were characterized by single crystal X-ray diffraction and electron paramagnetic resonance (EPR) spectroscopy. Orientation-selective 4-pulse double electron–electron resonance (DEER) measurements between the three {Cr7Ni} rings incorporated in each [4]rotaxane reveal that each system is conformationally fluxional in solution, with the most abundant conformations found to differ significantly from the crystal structure geometry for each compound. The degree of similarity between conformations is evaluated using a novel application of the earth mover’s distance analysis.
- Publication status:
- Published
- Peer review status:
- Peer reviewed
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(Preview, Version of Record, Version of record, pdf, 4.7MB, Terms of use)
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- Publisher copy:
- 10.1021/acs.inorgchem.4c03919
Authors
+ Engineering and Physical Sciences Research Council
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- Funder identifier:
- https://ror.org/0439y7842
- Publisher:
- American Chemical Society
- Journal:
- Inorganic Chemistry More from this journal
- Volume:
- 63
- Issue:
- 48
- Pages:
- 22880-22891
- Publication date:
- 2024-11-17
- Acceptance date:
- 2024-10-22
- DOI:
- EISSN:
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1520-510X
- ISSN:
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0020-1669
- Language:
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English
- Source identifiers:
-
2468070
- Deposit date:
-
2024-12-03
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