Femtosecond fragmentation of CS2 after sulfur 1s ionization: interplay between Auger cascade decay, charge delocalization, and nuclear motion

Autor(es)

Granas, O. ^[1] ; Mocellin, A. ^[2] ; Cardoso, E. S. ^{[3, 4]} ; Burmeister, F. ^[1] ; Caleman, C. ^{[1, 5]} ; Bjorneholm, O. ^[1] ; Naves de Brito, A. ^[4]

Afiliação do(s) autor(es)

^[1] Uppsala Univ, Dept Phys & Astron, Box 516, S-75120 Uppsala - Sweden

^[2] Brasilia Univ, Inst Phys, Brasilia, DF - Brazil

^[3] Lab Nacl Luz Sincrotron, Box 6192, BR-13083970 Campinas, SP - Brazil

^[4] Univ Estadual Campinas, Rua Sergio Buarque Holanda 777, Cidade Univ, BR-13083970 Campinas, SP - Brazil

^[5] DESY, Ctr Free Electron Laser Sci, Notkestr 85, DE-22607 Hamburg - Germany

• Tipo de documento: Artigo Científico
• Fonte: JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS; v. 53, n. 24 DEC 28 2020.
• Citações Web of Science: 0

Resumo

We present a combined experimental and theoretical study of the fragmentation of molecular CS2 after sulfur 1s Auger cascade decay, consisting of electron-multi-ion coincidence spectra of charged fragments and theoretical simulations combining density functional theory and molecular dynamics. On the experimental side, a procedure for a complete determination of all sets of ions formed is described. For many of the fragmentation channels, we observed a higher charge in one of the sulfur atoms than the other atoms. Based on these observations and the theoretical simulations where the time scale of the nuclear motion and decay is taken into account, we propose that KLL Auger decay after the 1s core hole creation, via 2p double hole states, results in highly charged and strongly repulsive states with one localized core hole. These localized core holes are sufficiently long-lived that some will decay after fragmentation of the molecular ion, thereby efficiently impeding charge exchange between the fragments. (AU)

• Processo FAPESP: 17/11986-5 - Geração e Armazenamento de Novas Energias: trazendo desenvolvimento tecnológico para o país
• Beneficiário: Ana Flávia Nogueira
• Modalidade de apoio: Auxílio à Pesquisa - Programa Centros de Pesquisa em Engenharia