Giant quantum anharmonic effects on the stability, vibrational and optical properties of cyclo[4n+2]carbon
Cyclo[4n+2]carbons are sp-bonded carbon rings in which Hückel rule predicts a fully symmetric structure that is, however, in competition with the second order Jahn–Teller (Peierls) distortion. This picture, however, neglects the crucial role played by nuclear quantum effects. Here we investigate the...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2022-10-01
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| Series: | Carbon Trends |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667056922000633 |