Identification of a new low energy 1u state in dicopper with resonant four-wave mixing.
- Visser B Paul Scherrer Institute, CH-5232 Villigen, Switzerland.
- Beck M Paul Scherrer Institute, CH-5232 Villigen, Switzerland.
- Bornhauser P Paul Scherrer Institute, CH-5232 Villigen, Switzerland.
- Knopp G Paul Scherrer Institute, CH-5232 Villigen, Switzerland.
- van Bokhoven JA Paul Scherrer Institute, CH-5232 Villigen, Switzerland.
- Marquardt R Laboratoire de Chimie Quantique, Institut de Chimie, Université de Strasbourg. 4, Rue Blaise Pascal-CS90032, 67081 Strasbourg Cedex, France.
- Gourlaouen C Laboratoire de Chimie Quantique, Institut de Chimie, Université de Strasbourg. 4, Rue Blaise Pascal-CS90032, 67081 Strasbourg Cedex, France.
- Radi PP Paul Scherrer Institute, CH-5232 Villigen, Switzerland.
- 2017-12-10
Published in:
- The Journal of chemical physics. - 2017
English
The low energy electronic structure of the copper dimer has been re-investigated using non-linear four-wave mixing spectroscopy and high level ab initio calculations. In addition to the measurement of the previously reported A, B, and C electronic states, a new state denoted A' is identified with T0 = 20 100.4090(16) cm-1 (63Cu2). Rotational analysis of the A'-X (0,0) and (1,0) transitions leads to the assignment of A' 1u. Ab initio calculations present the first theoretical description of the low energy states of the copper dimer in Hund's case (c) and confirm the experimental assignment. The discovery of this new low energy excited state emphasizes that spin-orbit coupling is significant in states with d-hole electronic configurations and resolves a decades-long mystery in the initial assignment of the A state.
- Language
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- English
- Open access status
- green
- Identifiers
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- DOI 10.1063/1.5006107
- PMID 29221416
- Persistent URL
- https://sonar.ch/global/documents/140076
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