RE-VISITING THE ELECTRONIC ENERGY MAP OF THE COPPER DIMER BY DOUBLE-RESONANT FOUR-WAVE MIXING

Radi, Peter

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https://hdl.handle.net/2142/97153 Copy

Description

Title

RE-VISITING THE ELECTRONIC ENERGY MAP OF THE COPPER DIMER BY DOUBLE-RESONANT FOUR-WAVE MIXING

Author(s)

Radi, Peter

Contributor(s)

• van Bokhoven, Jeroen A.
• Gourlaouen, Christophe
• Marquardt, Roberto
• Knopp, Gregor
• Beck, Martin
• Bornhauser, Peter
• Visser, Bradley

Issue Date

6/21/2017

Keyword(s)

Metal containing

Abstract

The copper dimer is one of the most studied transition metal (TM) diatomics due to its alkali-metal like electronic shell structure, strongly bound ground state and chemical reactivity. The high electronic promotion energy in the copper atom yields numerous low-lying electronic states compared to TM dimers with textit(d)-hole electronic configurations. Thus, through extensive study the excited electronic structure of chem{Cu_2} is relatively well known, however in practice few excited states have been investigated with rotational resolution or even assigned term symbols or dissociation limits._x000d_ _x000d_ The spectroscopic methods that have been used to investigate the copper dimer until now have not possessed sufficient textit{spectral} selectivity, which has complicated the analysis of the often overlapping transitions. Resonant four-wave mixing is a non-linear absorption based spectroscopic method. In favorable cases, the two-color version (TC-RFWM) enables purely optical mass selective spectral measurements in a mixed molecular beam. Additionally, by labelling individual rotational levels in the common intermediate state the spectra are dramatically simplified._x000d_ _x000d_ In this work, we report on the rotationally resolved characterization of low-lying electronic states of dicopper. Several term symbols have been assigned unambiguously. De-perturbation studies performed shed light on the complex electronic structure of the molecule. Furthermore, a new low-lying electronic state of chem{Cu_2} is discovered and has important implications for the high-level theoretical structure calculations performed in parallel. In fact, the textit{ab initio} methods applied yield relative energies among the electronic levels that are almost quantitative and allow assignment of the newly observed state that is governed by spin-orbit interacting levels.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/97153

DOI

10.15278/isms.2017.WK04

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