Triplet‐Singlet Emission of d‐Block Metal Complexes Characterized by Spin‐Orbit Natural Transition Orbitals
Abstract Spin‐orbit natural transition orbital (SO‐NTO) methodology, recently developed in our group for complete and restricted active space (CAS/RAS) wavefunction calculations, is applied to analyze triplet‐to‐singlet emission in transition metal complexes. The lowest‐energy (longest‐wavelength) s...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley-VCH
2024-08-01
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| Series: | ChemistryOpen |
| Online Access: | https://doi.org/10.1002/open.202300291 |