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Using sulfur agents in the crystal growth improves the stability and performance of the photovoltaic and light\u2010emitting devices. In this theoretical work, we use a small toy S\u2010radical in place of A cation in the bulk of lead iodide perovskite, and highlight the significance of the Pb\u2212S covalent\u2010double\u2010bond formation for: the charge redistribution on the neighboring bonds that also turn to be covalent, phase transformation to a stable non\u2010perovskite structure, and superior optoelectronic properties. The chemical analysis was performed with the Quantum Theory of Atoms In Molecules (QTAIM) and Non\u2010Covalent Interactions (NCI) index. Excitonic properties were obtained from the solution of\n                    <jats:italic>ab initio<\/jats:italic>\n                    Bethe\u2013Salpeter equation. Presence of the spin\u2010orbit coupling triggers an interplay between the Frenkel and charge\u2010transfer multiexcitons, switching between the photovoltaic and laser applications. Multiexcitons obey the exciton\u2010fission preconditions.\n                  <\/jats:p>","DOI":"10.1002\/chem.202402205","type":"journal-article","created":{"date-parts":[[2024,8,19]],"date-time":"2024-08-19T07:35:49Z","timestamp":1724052949000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Consequences of the Pb\u2212S Bond Formation for Lead Halide Perovskites"],"prefix":"10.1002","volume":"30","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4826-7076","authenticated-orcid":false,"given":"Ma\u0142gorzata","family":"Wierzbowska","sequence":"first","affiliation":[{"name":"Institute of High Pressure Physics Polish Academy of Sciences  ul. 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