The electronic states of strontium sulfide SrS: A global perspective and transition moments, radiative transition probabilities, and radiative lifetimes for selected transitions

Autor(es)

Ferreira de Moraes, Matheus Morato ; Ornellas, Fernando R.

• Tipo de documento: Artigo Científico
• Fonte: JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER; v. 255, p. 7-pg., 2020-11-01.

Resumo

Lambda + S and Omega electronic states of strontium sulfide are characterized at the CASSCF/MRCI+Q level of theory. This is the first work to provide a reliable picture of the potential energy curves showing the challenges one might face to investigate them either theoretically or experimentally. Spectroscopic parameters and averaged dipole moment functions are reported. Einstein emission coefficients provide relevant information on the relative intensities for selected transitions. Radiative lifetimes are also estimated and an accurate value of dissociation energy for the ground state obtained. Perturbing states in the (1)Sigma(+) - (1)Sigma(+) spectra observed experimentally can now be clearly identified. The reliability and perspective of the present results are expected to motivate and guide future experimental investigations on this system. (c) 2020 Elsevier Ltd. All rights reserved. (AU)

• Processo FAPESP: 17/06782-1 - Estrutura eletrônica e propriedades espectroscópicas do sulfeto de estrôncio, SrS
• Beneficiário: Matheus Morato Ferreira de Moraes
• Modalidade de apoio: Bolsas no Brasil - Iniciação Científica
• Processo FAPESP: 18/06591-4 - Estudos espectroscópicos de sistemas diatômicos neutros e íons e de reações moleculares entre dicátions e moléculas e átomos na fase gasosa
• Beneficiário: Fernando Rei Ornellas
• Modalidade de apoio: Auxílio à Pesquisa - Regular