Hypsochlorins
Both the Soret and Q bands of chlorin e6 complexes blueshift on going from Zn to Pd to Pt as the coordinated metal, establishing the latter two complexes as hypsochlorins. DFT/TDDFT calculations indicate that the blueshifts appear to be related to the presence of the electronegative metal ion, which...
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| Format: | Article |
| Language: | English |
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Académie des sciences
2024-03-01
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| Series: | Comptes Rendus. Chimie |
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| Online Access: | https://comptes-rendus.academie-sciences.fr/chimie/articles/10.5802/crchim.299/ |
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| author | Larsen, Simon Conradie, Jeanet Desbois, Nicolas Gros, Claude P. Ghosh, Abhik |
| author_facet | Larsen, Simon Conradie, Jeanet Desbois, Nicolas Gros, Claude P. Ghosh, Abhik |
| author_sort | Larsen, Simon |
| collection | DOAJ |
| description | Both the Soret and Q bands of chlorin e6 complexes blueshift on going from Zn to Pd to Pt as the coordinated metal, establishing the latter two complexes as hypsochlorins. DFT/TDDFT calculations indicate that the blueshifts appear to be related to the presence of the electronegative metal ion, which lowers the orbital energies of the HOMO and HOMO-1, while leaving the LUMOs relatively unaffected. |
| format | Article |
| id | doaj-art-631d88630c6b4730b1755bc444c53511 |
| institution | Kabale University |
| issn | 1878-1543 |
| language | English |
| publishDate | 2024-03-01 |
| publisher | Académie des sciences |
| record_format | Article |
| series | Comptes Rendus. Chimie |
| spelling | doaj-art-631d88630c6b4730b1755bc444c535112025-02-07T13:39:10ZengAcadémie des sciencesComptes Rendus. Chimie1878-15432024-03-0127S112513210.5802/crchim.29910.5802/crchim.299HypsochlorinsLarsen, Simon0https://orcid.org/0000-0002-6105-1552Conradie, Jeanet1https://orcid.org/0000-0002-8120-6830Desbois, Nicolas2https://orcid.org/0000-0002-1156-4608Gros, Claude P.3https://orcid.org/0000-0002-6966-947XGhosh, Abhik4https://orcid.org/0000-0003-1161-6364Department of Chemistry, UiT – The Arctic University of Norway, Tromsø N-9037, NorwayDepartment of Chemistry, UiT – The Arctic University of Norway, Tromsø N-9037, Norway; Department of Chemistry, University of the Free State, Bloemfontein 9300, Republic of South AfricaInstitut de Chimie Moléculaire de l’Université de Bourgogne (ICMUB), UMR CNRS 6302, Université de Bourgogne, 9 Avenue Alain Savary, BP 47870, 21078 Dijon Cedex, FranceInstitut de Chimie Moléculaire de l’Université de Bourgogne (ICMUB), UMR CNRS 6302, Université de Bourgogne, 9 Avenue Alain Savary, BP 47870, 21078 Dijon Cedex, FranceDepartment of Chemistry, UiT – The Arctic University of Norway, Tromsø N-9037, NorwayBoth the Soret and Q bands of chlorin e6 complexes blueshift on going from Zn to Pd to Pt as the coordinated metal, establishing the latter two complexes as hypsochlorins. DFT/TDDFT calculations indicate that the blueshifts appear to be related to the presence of the electronegative metal ion, which lowers the orbital energies of the HOMO and HOMO-1, while leaving the LUMOs relatively unaffected.https://comptes-rendus.academie-sciences.fr/chimie/articles/10.5802/crchim.299/ChlorinHypsochlorinHypsoHypsoporphyrinTDDFT |
| spellingShingle | Larsen, Simon Conradie, Jeanet Desbois, Nicolas Gros, Claude P. Ghosh, Abhik Hypsochlorins Comptes Rendus. Chimie Chlorin Hypsochlorin Hypso Hypsoporphyrin TDDFT |
| title | Hypsochlorins |
| title_full | Hypsochlorins |
| title_fullStr | Hypsochlorins |
| title_full_unstemmed | Hypsochlorins |
| title_short | Hypsochlorins |
| title_sort | hypsochlorins |
| topic | Chlorin Hypsochlorin Hypso Hypsoporphyrin TDDFT |
| url | https://comptes-rendus.academie-sciences.fr/chimie/articles/10.5802/crchim.299/ |
| work_keys_str_mv | AT larsensimon hypsochlorins AT conradiejeanet hypsochlorins AT desboisnicolas hypsochlorins AT grosclaudep hypsochlorins AT ghoshabhik hypsochlorins |