Jahn–Teller effects in initial and final states: high-resolution X-ray absorption, photoelectron and Auger spectroscopy of allene-Reference-Cited by-同舟云学术

Jahn–Teller effects in initial and final states: high-resolution X-ray absorption, photoelectron and Auger spectroscopy of allene

Published:2023 Issue:9 Volume:25 Page:6733-6745
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Muchova Eva¹^ORCID,Hollas Daniel²^ORCID,Holland David M. P.³^ORCID,Bacellar Camila⁴,Leroy Ludmila⁴,Barillot Thomas R.⁴,Longetti Luca⁴^ORCID,Coreno Marcello⁵,de Simone Monica⁶^ORCID,Grazioli Cesare⁶^ORCID,Chergui Majed⁴^ORCID,Ingle Rebecca A.⁷^ORCID

Affiliation:

1. Department of Physical Chemistry, University of Chemistry and Technology, Technická 5, 166 28 Prague, Czech Republic

2. Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol, BS8 1TS, UK

3. Daresbury Laboratory, Daresbury, Warrington, Cheshire WA4 4AD, UK

4. Laboratoire de Spectroscopie Ultrarapide, Ecole Polytechnique Fédérale de Lausanne, ISIC, FSB, CH-1015 Lausanne, Switzerland

5. ISM-CNR, Istituto di Struttura dei Materiali, LD2 Unit, 34149 Trieste, Italy

6. IOM-CNR, Istituto Officina dei Materiali, 34149 Trieste, Italy

7. Department of Chemistry, 20 Gordon Street, London, WC1H 0AJ, UK

Abstract

Carbon K-edge resonant Auger spectra of gas-phase allene following excitation of the pre-edge 1s → π* transitions are presented and analysed with the support of EOM-CCSD/cc-pVTZ calculations.

Funder

CALIPSOplus

Grantová Agentura České Republiky

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP05299G

Reference104 articles.

1. Simulating X-ray Spectroscopies and Calculating Core-Excited States of Molecules

2. An assessment of different electronic structure approaches for modeling time-resolved x-ray absorption spectroscopy

3. Dynamics of resonant x-ray and Auger scattering

4. Non-equilibrium x-ray spectroscopy using direct quantum dynamics

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