Matches in SemOpenAlex for { <https://semopenalex.org/work/W4200293812> ?p ?o ?g. }
- W4200293812 endingPage "21477" @default.
- W4200293812 startingPage "21474" @default.
- W4200293812 abstract "Most aromatic ketones containing first-row elements undergo unexpectedly fast intersystem crossing in a few tens of picoseconds and a quantum yield close to unity. Among them, xanthone (9H-xanthen-9-one) possesses one of the fastest singlet-triplet rates of only ∼1.5 ps. The exact mechanism of this unusually fast transition is still under debate. Here, we perform wavepacket dynamics of the photochemistry of xanthone in the gas phase and in polar solvents. We show that xanthone follows El-Sayed's rule for intersystem crossing. From the second singlet excited state, the mechanism is sequential: (i) an internal conversion between singlets 1ππ* → 1nπ* (85 fs), (ii) an intersystem crossing 1nπ* → 3ππ* (2.0 ps), and (iii) an internal conversion between triplets 3ππ* → 3nπ* (602 fs). Each transfer finds its origin in a barrierless access to electronic state intersections. These intersections are close to minimum energy structures, allowing for efficient transitions from the initial singlet state to the triplets." @default.
- W4200293812 created "2021-12-31" @default.
- W4200293812 creator A5013260584 @default.
- W4200293812 creator A5046365012 @default.
- W4200293812 creator A5090378026 @default.
- W4200293812 date "2021-12-14" @default.
- W4200293812 modified "2023-10-16" @default.
- W4200293812 title "Ultrafast Intersystem Crossing in Xanthone from Wavepacket Dynamics" @default.
- W4200293812 cites W1966956454 @default.
- W4200293812 cites W1972111200 @default.
- W4200293812 cites W1973341352 @default.
- W4200293812 cites W1984187466 @default.
- W4200293812 cites W1984882177 @default.
- W4200293812 cites W1987391128 @default.
- W4200293812 cites W2000361255 @default.
- W4200293812 cites W2002169707 @default.
- W4200293812 cites W2013058382 @default.
- W4200293812 cites W2029208323 @default.
- W4200293812 cites W2045239807 @default.
- W4200293812 cites W2050087130 @default.
- W4200293812 cites W2052763122 @default.
- W4200293812 cites W2054301109 @default.
- W4200293812 cites W2054385230 @default.
- W4200293812 cites W2069831347 @default.
- W4200293812 cites W2073154930 @default.
- W4200293812 cites W2073862101 @default.
- W4200293812 cites W2080174936 @default.
- W4200293812 cites W2095337273 @default.
- W4200293812 cites W2112145363 @default.
- W4200293812 cites W2202746452 @default.
- W4200293812 cites W2265937505 @default.
- W4200293812 cites W2295865997 @default.
- W4200293812 cites W2315282939 @default.
- W4200293812 cites W2323305911 @default.
- W4200293812 cites W2324122390 @default.
- W4200293812 cites W2334240875 @default.
- W4200293812 cites W2335825298 @default.
- W4200293812 cites W2485884452 @default.
- W4200293812 cites W2500653917 @default.
- W4200293812 cites W2737682044 @default.
- W4200293812 cites W2901166588 @default.
- W4200293812 cites W3180734806 @default.
- W4200293812 doi "https://doi.org/10.1021/jacs.1c07039" @default.
- W4200293812 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34905690" @default.
- W4200293812 hasPublicationYear "2021" @default.
- W4200293812 type Work @default.
- W4200293812 citedByCount "8" @default.
- W4200293812 countsByYear W42002938122022 @default.
- W4200293812 countsByYear W42002938122023 @default.
- W4200293812 crossrefType "journal-article" @default.
- W4200293812 hasAuthorship W4200293812A5013260584 @default.
- W4200293812 hasAuthorship W4200293812A5046365012 @default.
- W4200293812 hasAuthorship W4200293812A5090378026 @default.
- W4200293812 hasBestOaLocation W42002938122 @default.
- W4200293812 hasConcept C116039458 @default.
- W4200293812 hasConcept C120665830 @default.
- W4200293812 hasConcept C121332964 @default.
- W4200293812 hasConcept C159467904 @default.
- W4200293812 hasConcept C161522054 @default.
- W4200293812 hasConcept C171001562 @default.
- W4200293812 hasConcept C178790620 @default.
- W4200293812 hasConcept C181500209 @default.
- W4200293812 hasConcept C184779094 @default.
- W4200293812 hasConcept C185592680 @default.
- W4200293812 hasConcept C2775842281 @default.
- W4200293812 hasConcept C32909587 @default.
- W4200293812 hasConcept C33062035 @default.
- W4200293812 hasConcept C4839761 @default.
- W4200293812 hasConcept C520434653 @default.
- W4200293812 hasConcept C55005982 @default.
- W4200293812 hasConcept C62520636 @default.
- W4200293812 hasConcept C71240020 @default.
- W4200293812 hasConcept C73978554 @default.
- W4200293812 hasConcept C75473681 @default.
- W4200293812 hasConcept C76766466 @default.
- W4200293812 hasConcept C91881484 @default.
- W4200293812 hasConceptScore W4200293812C116039458 @default.
- W4200293812 hasConceptScore W4200293812C120665830 @default.
- W4200293812 hasConceptScore W4200293812C121332964 @default.
- W4200293812 hasConceptScore W4200293812C159467904 @default.
- W4200293812 hasConceptScore W4200293812C161522054 @default.
- W4200293812 hasConceptScore W4200293812C171001562 @default.
- W4200293812 hasConceptScore W4200293812C178790620 @default.
- W4200293812 hasConceptScore W4200293812C181500209 @default.
- W4200293812 hasConceptScore W4200293812C184779094 @default.
- W4200293812 hasConceptScore W4200293812C185592680 @default.
- W4200293812 hasConceptScore W4200293812C2775842281 @default.
- W4200293812 hasConceptScore W4200293812C32909587 @default.
- W4200293812 hasConceptScore W4200293812C33062035 @default.
- W4200293812 hasConceptScore W4200293812C4839761 @default.
- W4200293812 hasConceptScore W4200293812C520434653 @default.
- W4200293812 hasConceptScore W4200293812C55005982 @default.
- W4200293812 hasConceptScore W4200293812C62520636 @default.
- W4200293812 hasConceptScore W4200293812C71240020 @default.
- W4200293812 hasConceptScore W4200293812C73978554 @default.
- W4200293812 hasConceptScore W4200293812C75473681 @default.
- W4200293812 hasConceptScore W4200293812C76766466 @default.
- W4200293812 hasConceptScore W4200293812C91881484 @default.