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Theoretical investigation of steric effects on the S1 potential energy surface of o-carborane-anthracene derivatives
TDDFT scan calculations were performed for s-carborane-anthracene derivatives (o-CB-X-Ant where X=-H, -CH(3), -C(2)H(5) and tert-butyl or -tBu) in order to understand the interplay between the steric effects, S(1) potential energy surface (PES) and photophysical properties. The results show that all...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Scientific and Technological Research Council of Turkey (TUBITAK)
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10387973/ https://www.ncbi.nlm.nih.gov/pubmed/37529221 http://dx.doi.org/10.55730/1300-0527.3567 |