Matches in SemOpenAlex for { <https://semopenalex.org/work/W2792474826> ?p ?o ?g. }
- W2792474826 endingPage "5387" @default.
- W2792474826 startingPage "5379" @default.
- W2792474826 abstract "Nitronaphthalene derivatives efficiently populate their electronically excited triplet states upon photoexcitation through ultrafast intersystem crossing (ISC). Despite having been studied extensively by time-resolved spectroscopy, the reasons behind their ultrafast ISC remain unknown. Herein, we present the first ab initio nonadiabatic molecular dynamics study of a nitronaphthalene derivative, 2-nitronaphthalene, including singlet and triplet states. We find that there are two distinct ISC reaction pathways involving different electronic states at distinct nuclear configurations. The high ISC efficiency is explained by the very small electronic and nuclear alterations that the chromophore needs to undergo during the singlet–triplet transition in the dominating ISC pathway after initial dynamics in the singlet manifold. The insights gained in this work are expected to shed new light on the photochemistry of other nitro polycyclic aromatic hydrocarbons that exhibit ultrafast intersystem crossing." @default.
- W2792474826 created "2018-03-29" @default.
- W2792474826 creator A5008682258 @default.
- W2792474826 creator A5031304454 @default.
- W2792474826 creator A5048515325 @default.
- W2792474826 date "2018-03-08" @default.
- W2792474826 modified "2023-10-14" @default.
- W2792474826 title "Mechanism of Ultrafast Intersystem Crossing in 2-Nitronaphthalene" @default.
- W2792474826 cites W1979056504 @default.
- W2792474826 cites W1985577211 @default.
- W2792474826 cites W1989629448 @default.
- W2792474826 cites W1992262102 @default.
- W2792474826 cites W1996529056 @default.
- W2792474826 cites W1998678322 @default.
- W2792474826 cites W1998780409 @default.
- W2792474826 cites W1999351161 @default.
- W2792474826 cites W2000500972 @default.
- W2792474826 cites W2002299165 @default.
- W2792474826 cites W2008423326 @default.
- W2792474826 cites W2017263291 @default.
- W2792474826 cites W2028450184 @default.
- W2792474826 cites W2029204370 @default.
- W2792474826 cites W2036051639 @default.
- W2792474826 cites W2037026437 @default.
- W2792474826 cites W2039711216 @default.
- W2792474826 cites W2040407907 @default.
- W2792474826 cites W2042803124 @default.
- W2792474826 cites W2046252896 @default.
- W2792474826 cites W2054182760 @default.
- W2792474826 cites W2058888007 @default.
- W2792474826 cites W2068920655 @default.
- W2792474826 cites W2069027701 @default.
- W2792474826 cites W2070589958 @default.
- W2792474826 cites W2071244000 @default.
- W2792474826 cites W2072325610 @default.
- W2792474826 cites W2072404056 @default.
- W2792474826 cites W2076188882 @default.
- W2792474826 cites W2076403812 @default.
- W2792474826 cites W2076787349 @default.
- W2792474826 cites W2077323202 @default.
- W2792474826 cites W2078294955 @default.
- W2792474826 cites W2080891241 @default.
- W2792474826 cites W2083351495 @default.
- W2792474826 cites W2083688762 @default.
- W2792474826 cites W2092265784 @default.
- W2792474826 cites W2125579691 @default.
- W2792474826 cites W2140971988 @default.
- W2792474826 cites W2143507823 @default.
- W2792474826 cites W2143785581 @default.
- W2792474826 cites W2196141432 @default.
- W2792474826 cites W2219199079 @default.
- W2792474826 cites W2278084554 @default.
- W2792474826 cites W2295188415 @default.
- W2792474826 cites W2315985981 @default.
- W2792474826 cites W2316471243 @default.
- W2792474826 cites W2322824326 @default.
- W2792474826 cites W2324395670 @default.
- W2792474826 cites W2325015204 @default.
- W2792474826 cites W2325783812 @default.
- W2792474826 cites W2331929861 @default.
- W2792474826 cites W2332136779 @default.
- W2792474826 cites W2332668224 @default.
- W2792474826 cites W2333372686 @default.
- W2792474826 cites W2480044893 @default.
- W2792474826 cites W2527705372 @default.
- W2792474826 cites W2607948809 @default.
- W2792474826 cites W3100630735 @default.
- W2792474826 cites W3137318615 @default.
- W2792474826 doi "https://doi.org/10.1002/chem.201705854" @default.
- W2792474826 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/5947663" @default.
- W2792474826 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29377370" @default.
- W2792474826 hasPublicationYear "2018" @default.
- W2792474826 type Work @default.
- W2792474826 sameAs 2792474826 @default.
- W2792474826 citedByCount "44" @default.
- W2792474826 countsByYear W27924748262018 @default.
- W2792474826 countsByYear W27924748262019 @default.
- W2792474826 countsByYear W27924748262020 @default.
- W2792474826 countsByYear W27924748262021 @default.
- W2792474826 countsByYear W27924748262022 @default.
- W2792474826 countsByYear W27924748262023 @default.
- W2792474826 crossrefType "journal-article" @default.
- W2792474826 hasAuthorship W2792474826A5008682258 @default.
- W2792474826 hasAuthorship W2792474826A5031304454 @default.
- W2792474826 hasAuthorship W2792474826A5048515325 @default.
- W2792474826 hasBestOaLocation W27924748261 @default.
- W2792474826 hasConcept C116039458 @default.
- W2792474826 hasConcept C121332964 @default.
- W2792474826 hasConcept C147597530 @default.
- W2792474826 hasConcept C155220765 @default.
- W2792474826 hasConcept C159467904 @default.
- W2792474826 hasConcept C161522054 @default.
- W2792474826 hasConcept C178790620 @default.
- W2792474826 hasConcept C181500209 @default.
- W2792474826 hasConcept C184779094 @default.
- W2792474826 hasConcept C185592680 @default.
- W2792474826 hasConcept C192468462 @default.
- W2792474826 hasConcept C2781442258 @default.