Electron Transfer and Exchange Interaction in Mixed Valence Radical Anions, Radical Cations, and Neutral Diradicals Derived from Bridged Bis-Triarylmethyl Systems_DFT

DOI

This dataset contains DFT and TD-DFT output files on neutral diradicals, cationic mixed valence compound and anionic mixed valence compounds discussed in the publication "Electron Transfer and Exchange Interaction in Mixed Valence Radical Anions, Radical Cations, and Neutral Diradicals Derived from Bridged Bis-Triarylmethyl Systems".

Identifier
DOI https://doi.org/10.58160/e22uqh6w83pgx7hp
Metadata Access https://www.radar-service.eu/oai/OAIHandler?verb=GetRecord&metadataPrefix=datacite&identifier=10.58160/e22uqh6w83pgx7hp
Provenance
Creator Euringer, Leon
Publisher University of Würzburg
Contributor RADAR
Publication Year 2025
Funding Reference Deutsche Forschungsgemeinschaft https://ror.org/018mejw64 ROR 439533873 https://gepris.dfg.de/gepris/projekt/439533873 Analyse und Steuerung der Spin-Chemie ladungsgetrennter Zustände in molekularen Dyaden und Triaden; Deutsche Forschungsgemeinschaft https://ror.org/018mejw64 ROR 417643975 https://gepris.dfg.de/gepris/projekt/417643975 Spin-Kohärenz-Transfer in lichtinduzierten Multi-Spin Systemen; Deutsche Forschungsgemeinschaft https://ror.org/018mejw64 ROR 536668010 https://gepris.dfg.de/gepris/projekt/536668010 Quantenmechanische Werkzeuge für die Vorhersage der Eigenschaften von molekularen Multi-Spin-Systemen im angeregten Zustand
Rights Open Access; Creative Commons Attribution Non Commercial No Derivatives 4.0 International; info:eu-repo/semantics/openAccess; https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode
OpenAccess true
Representation
Language English
Resource Type Dataset
Format application/x-tar
Discipline Chemistry; Natural Sciences