{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["88(2)"],"submitter":["Pecorari D"],"funding":["Universit? di Bologna"],"pubmed_abstract":["We synthesized bis-aryl carbazole borane derivatives having emissive properties and axial chirality. The resolution of a thermally stable atropisomeric pair (compound <b>1b</b>), due to a B-C chiral axis, was achieved by chiral stationary-phase high-performance liquid chromatography (CSP-HPLC). Complete photophysical properties of all compounds were measured and simulated by time-dependent density functional theory (TD-DFT) calculations of the complete fluorescence cycle, and circularly polarized luminescence spectra were obtained for the atropisomers of compound <b>1b</b>, whose absolute configuration was derived using a TD-DFT simulation of the electronic circular dichroism (ECD) spectra."],"journal":["The Journal of organic chemistry"],"pagination":["871-881"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9872089"],"repository":["biostudies-literature"],"pubmed_title":["Synthesis and Stereodynamic and Emission Properties of Dissymmetric Bis-Aryl Carbazole Boranes and Identification of a CPL-Active B-C Atropisomeric Compound."],"pmcid":["PMC9872089"],"pubmed_authors":["Giuliani E","Mazzanti A","Pecorari D","Pescitelli G","Zinna F","Vigarani G","Stagni S","Fiorini V","Mancinelli M"],"additional_accession":[]},"is_claimable":false,"name":"Synthesis and Stereodynamic and Emission Properties of Dissymmetric Bis-Aryl Carbazole Boranes and Identification of a CPL-Active B-C Atropisomeric Compound.","description":"We synthesized bis-aryl carbazole borane derivatives having emissive properties and axial chirality. The resolution of a thermally stable atropisomeric pair (compound <b>1b</b>), due to a B-C chiral axis, was achieved by chiral stationary-phase high-performance liquid chromatography (CSP-HPLC). Complete photophysical properties of all compounds were measured and simulated by time-dependent density functional theory (TD-DFT) calculations of the complete fluorescence cycle, and circularly polarized luminescence spectra were obtained for the atropisomers of compound <b>1b</b>, whose absolute configuration was derived using a TD-DFT simulation of the electronic circular dichroism (ECD) spectra.","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Jan","modification":"2025-04-19T14:31:26.636Z","creation":"2025-04-19T14:31:26.636Z"},"accession":"S-EPMC9872089","cross_references":{"pubmed":["36599041"],"doi":["10.1021/acs.joc.2c02209"]}}