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Charge-Transfer Character Drives Möbius Antiaromaticity in the Excited Triplet State of Twisted [28]Hexaphyrin
- Source :
- The journal of physical chemistry letters. 9(10)
- Publication Year :
- 2018
-
Abstract
- Mobius aromatic molecules have attracted great attention as new functional materials because of their π-orbital cyclic conjugations lying along the twisted Mobius topology. To elucidate the electronic character of the lowest excited triplet (T1) state of a Mobius aromatic [28]hexaphyrin, we employed a time-resolved electron paramagnetic resonance (TREPR) method with applied magnetophotoselection measurements at 77 K. Analyses of the EPR parameters have revealed that the T1 state possesses intramolecular charge-transfer (CT) character together with local excitation character residing at one side in the Mobius strip ring. We have also demonstrated that the CT character between orthogonal unpaired orbitals triggers quick triplet deactivation by spin-orbit coupling. This deactivation can be an important barometer to represent the “antiaromaticity” because of a connection between the orthogonal CT character and instability by a weakened spin-spin exchange coupling in the T1 state.
- Subjects :
- Physics
010405 organic chemistry
010402 general chemistry
Ring (chemistry)
01 natural sciences
Molecular physics
0104 chemical sciences
law.invention
Character (mathematics)
Atomic orbital
law
Intramolecular force
Excited state
General Materials Science
Physical and Theoretical Chemistry
Triplet state
Electron paramagnetic resonance
Antiaromaticity
Subjects
Details
- ISSN :
- 19487185
- Volume :
- 9
- Issue :
- 10
- Database :
- OpenAIRE
- Journal :
- The journal of physical chemistry letters
- Accession number :
- edsair.doi.dedup.....9c1c694f9ec7089c2f1486d06ccc638a