Spectroscopic evidence for a triplet ground state in the naphthyl cation
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| Publication date | 25-07-2011 |
| Journal | Angewandte Chemie, International Edition |
| Volume | Issue number | 50 | 31 |
| Pages (from-to) | 7004-7007 |
| Number of pages | 4 |
| Organisations |
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| Abstract |
Run to ground: Infrared spectroscopy of the isolated naphthyl carbocation, C10H7+ (prepared from C10H7Br, see scheme) provides evidence for a triplet electronic ground state (3A′′), in which a π electron is promoted to the vacant σ orbital. Previous computational studies have been ambiguous as to the relative stabilities of the singlet and triplet states; DFT calculations predict both states to be practically isoenergetic.
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| Document type | Article |
| Note | With supplementary file |
| Language | English |
| Related publication | Spectroscopic evidence for a triplet ground state in the naphthyl cation |
| Published at | https://doi.org/10.1002/anie.201102333 https://doi.org/10.1002/ange.201102333 |
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