{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Benkada A"],"funding":["National Research Foundation Singapore"],"pagination":["e202202318"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC10099607"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["29(1)"],"pubmed_abstract":["A highly unusual solid-state epitaxy-induced phase transformation of Na4 SnS4 ⋅ 14H2 O (I) into Na4 Sn2 S6 ⋅ 5H2 O (II) occurs at room temperature. Ab initio molecular dynamics (AIMD) simulations indicate an internal acid-base reaction to form [SnS3 SH]3- which condensates to [Sn2 S6 ]4- . The reaction involves a complex sequence of O-H bond cleavage, S2- protonation, Sn-S bond formation and diffusion of various species while preserving the crystal morphology. In situ Raman and IR spectroscopy evidence the formation of [Sn2 S6 ]4- . DFT calculations allowed assignment of all bands appearing during the transformatio"],"journal":["Chemistry (Weinheim an der Bergstrasse, Germany)"],"pubmed_title":["Room-Temperature Solid-State Transformation of Na4 SnS4 ⋅ 14H2 O into Na4 Sn2 S6 ⋅ 5H2 O: An Unusual Epitaxial Reaction Including Bond Formation, Mass Transport, and Ionic Conductivity."],"pmcid":["PMC10099607"],"funding_grant_id":["AcRF grant R-284-000-250-114"],"pubmed_authors":["Reinsch H","A Engesser T","Nather C","Adams S","Zinkevich T","Luhmann H","Benkada A","Hartmann F","Indris S","Bensch W"],"additional_accession":[]},"is_claimable":false,"name":"Room-Temperature Solid-State Transformation of Na4 SnS4 ⋅ 14H2 O into Na4 Sn2 S6 ⋅ 5H2 O: An Unusual Epitaxial Reaction Including Bond Formation, Mass Transport, and Ionic Conductivity.","description":"A highly unusual solid-state epitaxy-induced phase transformation of Na4 SnS4 ⋅ 14H2 O (I) into Na4 Sn2 S6 ⋅ 5H2 O (II) occurs at room temperature. Ab initio molecular dynamics (AIMD) simulations indicate an internal acid-base reaction to form [SnS3 SH]3- which condensates to [Sn2 S6 ]4- . The reaction involves a complex sequence of O-H bond cleavage, S2- protonation, Sn-S bond formation and diffusion of various species while preserving the crystal morphology. In situ Raman and IR spectroscopy evidence the formation of [Sn2 S6 ]4- . DFT calculations allowed assignment of all bands appearing during the transformatio","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Jan","modification":"2025-07-08T03:10:53.17Z","creation":"2025-04-05T21:11:54.968Z"},"accession":"S-EPMC10099607","cross_references":{"pubmed":["36214658"],"doi":["10.1002/chem.202202318"]}}