FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2321801882> ?p ?o ?g. }

• W2321801882 endingPage "4527" @default.
• W2321801882 startingPage "4516" @default.
• W2321801882 abstract "S0, S1, and T1 states of various orthogonal 8,8′ and 8,2′-bis-boradiaza-s-indacene (BODIPY) dyes, recently (Angew. Chem., Int. Ed.2011, 50, 11937) proposed as heavy atom free photosensitizers for O2(1Δg) generation, were studied by multireference quantum chemical approaches. S0→S1 excitation characteristics of certain bis-BODIPYs are shown to be drastically different than the parent BODIPY chromophore. Whereas a simple HOMO→LUMO-type single substitution perfectly accounts for the BODIPY core, S1 states of certain orthogonal bis-BODIPYs are described as linear combinations of doubly substituted (DS) configurations which overall yield four electrons in four singly occupied orbitals. Computed DS character of S1, strongly correlated with facile 1O2 production, was presumed to occur via S1→T1 intersystem crossing (ISC) of the sensitizer. Further confirmation of this relation was provided by newly synthesized BODIPY derivatives and comparison of spectroscopic properties of their dimers and monomers. Near-IR absorption, desired for potential photodynamic therapy applications, was not pursuable for bis-chromophores by the standard strategy of π-extension, as DS singlet states are destabilized. Decreased exchange coupling in π-extended cases appears to be responsible for this destabilization. Comparisons with iodine incorporated bis-BODIPYs suggest that the dynamics of 1O2 generation via DS S1 states are qualitatively different from that via ISC originating from heavy atom spin–orbit coupling. Although red-shifting the absorption wavelength to enter the therapeutic window does not seem attainable for orthogonal bis-BODIPYs with DS S1 states, modifications in the chromophore cores are shown to be promising in fine-tuning the excitation characteristics." @default.
• W2321801882 created "2016-06-24" @default.
• W2321801882 creator A5011189340 @default.
• W2321801882 creator A5018712786 @default.
• W2321801882 creator A5037690164 @default.
• W2321801882 creator A5038013503 @default.
• W2321801882 creator A5067444038 @default.
• W2321801882 date "2012-05-02" @default.
• W2321801882 modified "2023-10-01" @default.
• W2321801882 title "Heavy Atom Free Singlet Oxygen Generation: Doubly Substituted Configurations Dominate S₁ States of Bis-BODIPYs" @default.
• W2321801882 cites W1604228239 @default.
• W2321801882 cites W1970148666 @default.
• W2321801882 cites W1971275758 @default.
• W2321801882 cites W1986506119 @default.
• W2321801882 cites W1993362494 @default.
• W2321801882 cites W1993512104 @default.
• W2321801882 cites W1994702118 @default.
• W2321801882 cites W1997855068 @default.
• W2321801882 cites W1999440372 @default.
• W2321801882 cites W2000035775 @default.
• W2321801882 cites W2007704449 @default.
• W2321801882 cites W2008041424 @default.
• W2321801882 cites W2010716787 @default.
• W2321801882 cites W2016841413 @default.
• W2321801882 cites W2019179093 @default.
• W2321801882 cites W2022950330 @default.
• W2321801882 cites W2023271753 @default.
• W2321801882 cites W2023623222 @default.
• W2321801882 cites W2024316485 @default.
• W2321801882 cites W2026499868 @default.
• W2321801882 cites W2033706909 @default.
• W2321801882 cites W2034197707 @default.
• W2321801882 cites W2035591252 @default.
• W2321801882 cites W2038533471 @default.
• W2321801882 cites W2040466299 @default.
• W2321801882 cites W2042951945 @default.
• W2321801882 cites W2045663488 @default.
• W2321801882 cites W2052377158 @default.
• W2321801882 cites W2053903427 @default.
• W2321801882 cites W2059104184 @default.
• W2321801882 cites W2068920655 @default.
• W2321801882 cites W2069006374 @default.
• W2321801882 cites W2072298860 @default.
• W2321801882 cites W2075031971 @default.
• W2321801882 cites W2075178966 @default.
• W2321801882 cites W2079149536 @default.
• W2321801882 cites W2080013318 @default.
• W2321801882 cites W2083841638 @default.
• W2321801882 cites W2086957099 @default.
• W2321801882 cites W2094213387 @default.
• W2321801882 cites W2095472229 @default.
• W2321801882 cites W2097489002 @default.
• W2321801882 cites W2100113961 @default.
• W2321801882 cites W2100456799 @default.
• W2321801882 cites W2105050546 @default.
• W2321801882 cites W2106501156 @default.
• W2321801882 cites W2113981935 @default.
• W2321801882 cites W2122136804 @default.
• W2321801882 cites W2122453445 @default.
• W2321801882 cites W2127393068 @default.
• W2321801882 cites W2129248052 @default.
• W2321801882 cites W2137636358 @default.
• W2321801882 cites W2143981217 @default.
• W2321801882 cites W2145328902 @default.
• W2321801882 cites W2148284063 @default.
• W2321801882 cites W2166705746 @default.
• W2321801882 cites W2170272750 @default.
• W2321801882 cites W2174060224 @default.
• W2321801882 cites W2316478786 @default.
• W2321801882 cites W2316552691 @default.
• W2321801882 cites W2319139305 @default.
• W2321801882 cites W2896087487 @default.
• W2321801882 cites W2949670005 @default.
• W2321801882 cites W2951200239 @default.
• W2321801882 cites W2951923279 @default.
• W2321801882 cites W2952566998 @default.
• W2321801882 cites W2952809250 @default.
• W2321801882 cites W3004962747 @default.
• W2321801882 cites W3005006366 @default.
• W2321801882 cites W654702463 @default.
• W2321801882 doi "https://doi.org/10.1021/jo300051v" @default.
• W2321801882 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/22530939" @default.
• W2321801882 hasPublicationYear "2012" @default.
• W2321801882 type Work @default.
• W2321801882 sameAs 2321801882 @default.
• W2321801882 citedByCount "111" @default.
• W2321801882 countsByYear W23218018822012 @default.
• W2321801882 countsByYear W23218018822013 @default.
• W2321801882 countsByYear W23218018822014 @default.
• W2321801882 countsByYear W23218018822015 @default.
• W2321801882 countsByYear W23218018822016 @default.
• W2321801882 countsByYear W23218018822017 @default.
• W2321801882 countsByYear W23218018822018 @default.
• W2321801882 countsByYear W23218018822019 @default.
• W2321801882 countsByYear W23218018822020 @default.
• W2321801882 countsByYear W23218018822021 @default.
• W2321801882 countsByYear W23218018822022 @default.
• W2321801882 countsByYear W23218018822023 @default.

• next