1. The Effects of Ring Strain on Cyclic Tetraaryl[5]cumulenes.
- Author
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Sun, Bozheng, Oakley, Meagan S., Yoshida, Kota, Yang, Yanwen, Tommasini, Matteo, Zanchi, Chiara, Lucotti, Andrea, Ferguson, Michael J., Hampel, Frank, Klobukowski, Mariusz, and Tykwinski, Rik R.
- Subjects
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CUMULENES , *RAMAN spectroscopy , *X-ray crystallography - Abstract
Cyclic tetraaryl[5]cumulenes (1 a–f) have been synthesized and studied as a function of increasing ring strain. The magnitude of ring strain is approximated by the extent of bending of the cumulenic core as assessed by a combination of X‐ray crystallographic analysis and DFT calculations. Trends are observed in 13C NMR, UV‐vis, and Raman spectra associated with ring strain, but the effects are small. In particular, the experimental HOMO‐LUMO gap is not appreciably affected by bending of the [5]cumulene framework from ca. 174° (λmax=504 nm) in 1 a to ca. 178° (λmax=494 nm) in 1 f. [ABSTRACT FROM AUTHOR]
- Published
- 2022
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