Matches in SemOpenAlex for { <https://semopenalex.org/work/W2004227592> ?p ?o ?g. }
Showing items 1 to 100 of
100
with 100 items per page.
- W2004227592 endingPage "149" @default.
- W2004227592 startingPage "135" @default.
- W2004227592 abstract "The electronic structures of 3,6-diphenyl-s-tetrazine (I), 3,6-bis(4-pyridyl)-s-tetrazine (II), 3,6-bis(3-pyridyl)-s-tetrazine (III), and 3,6-bis(2-pyridyl)-s-tetrazine (IV) were investigated by linear dichroism (LD) UV–Vis absorption spectroscopy using stretched polyethylene matrices, by magnetic circular dichroism (MCD) spectroscopy, and by quantum chemical calculations. The LD spectra contain information on the transition moment directions of the observed electronic transitions, and here in combination with the MCD spectra, they lead to resolution of the otherwise hidden transitions. The electronic transitions predicted by time dependent density functional theory (TD-B3LYP/6-31G*), using molecular geometries determined by X-ray crystallography, were in excellent agreement with the observed transitions. The combined experimental and theoretical evidence lead to a consistent assignment of electronic states. In particular, the second observed transition of I around 27 000 cm−1 can be assigned to an in-plane short-axis polarized π–π* transition, in contrast to a previous assignment." @default.
- W2004227592 created "2016-06-24" @default.
- W2004227592 creator A5002136860 @default.
- W2004227592 creator A5030336016 @default.
- W2004227592 creator A5061204011 @default.
- W2004227592 date "2000-04-01" @default.
- W2004227592 modified "2023-10-17" @default.
- W2004227592 title "Electronic states of diphenyl- and dipyridyl-s-tetrazines: linear and magnetic circular dichroism, and quantum chemical calculations" @default.
- W2004227592 cites W1634953383 @default.
- W2004227592 cites W1965744237 @default.
- W2004227592 cites W1968623106 @default.
- W2004227592 cites W1985574882 @default.
- W2004227592 cites W2018532941 @default.
- W2004227592 cites W2027746626 @default.
- W2004227592 cites W2030681094 @default.
- W2004227592 cites W2067813400 @default.
- W2004227592 cites W2068228867 @default.
- W2004227592 cites W2068805337 @default.
- W2004227592 cites W2069197437 @default.
- W2004227592 cites W2084135044 @default.
- W2004227592 cites W2086593040 @default.
- W2004227592 cites W2088446881 @default.
- W2004227592 cites W2143981217 @default.
- W2004227592 cites W2346964781 @default.
- W2004227592 cites W2893787762 @default.
- W2004227592 cites W2949456009 @default.
- W2004227592 doi "https://doi.org/10.1016/s0301-0104(00)00022-7" @default.
- W2004227592 hasPublicationYear "2000" @default.
- W2004227592 type Work @default.
- W2004227592 sameAs 2004227592 @default.
- W2004227592 citedByCount "21" @default.
- W2004227592 countsByYear W20042275922012 @default.
- W2004227592 countsByYear W20042275922013 @default.
- W2004227592 countsByYear W20042275922014 @default.
- W2004227592 countsByYear W20042275922015 @default.
- W2004227592 countsByYear W20042275922016 @default.
- W2004227592 countsByYear W20042275922022 @default.
- W2004227592 crossrefType "journal-article" @default.
- W2004227592 hasAuthorship W2004227592A5002136860 @default.
- W2004227592 hasAuthorship W2004227592A5030336016 @default.
- W2004227592 hasAuthorship W2004227592A5061204011 @default.
- W2004227592 hasConcept C119824511 @default.
- W2004227592 hasConcept C121332964 @default.
- W2004227592 hasConcept C133571119 @default.
- W2004227592 hasConcept C146593782 @default.
- W2004227592 hasConcept C147597530 @default.
- W2004227592 hasConcept C152365726 @default.
- W2004227592 hasConcept C178790620 @default.
- W2004227592 hasConcept C185592680 @default.
- W2004227592 hasConcept C19329426 @default.
- W2004227592 hasConcept C21074235 @default.
- W2004227592 hasConcept C2778754187 @default.
- W2004227592 hasConcept C32891209 @default.
- W2004227592 hasConcept C32909587 @default.
- W2004227592 hasConcept C41999313 @default.
- W2004227592 hasConcept C4839761 @default.
- W2004227592 hasConcept C62520636 @default.
- W2004227592 hasConcept C68563686 @default.
- W2004227592 hasConcept C8010536 @default.
- W2004227592 hasConcept C86025842 @default.
- W2004227592 hasConceptScore W2004227592C119824511 @default.
- W2004227592 hasConceptScore W2004227592C121332964 @default.
- W2004227592 hasConceptScore W2004227592C133571119 @default.
- W2004227592 hasConceptScore W2004227592C146593782 @default.
- W2004227592 hasConceptScore W2004227592C147597530 @default.
- W2004227592 hasConceptScore W2004227592C152365726 @default.
- W2004227592 hasConceptScore W2004227592C178790620 @default.
- W2004227592 hasConceptScore W2004227592C185592680 @default.
- W2004227592 hasConceptScore W2004227592C19329426 @default.
- W2004227592 hasConceptScore W2004227592C21074235 @default.
- W2004227592 hasConceptScore W2004227592C2778754187 @default.
- W2004227592 hasConceptScore W2004227592C32891209 @default.
- W2004227592 hasConceptScore W2004227592C32909587 @default.
- W2004227592 hasConceptScore W2004227592C41999313 @default.
- W2004227592 hasConceptScore W2004227592C4839761 @default.
- W2004227592 hasConceptScore W2004227592C62520636 @default.
- W2004227592 hasConceptScore W2004227592C68563686 @default.
- W2004227592 hasConceptScore W2004227592C8010536 @default.
- W2004227592 hasConceptScore W2004227592C86025842 @default.
- W2004227592 hasIssue "2-3" @default.
- W2004227592 hasLocation W20042275921 @default.
- W2004227592 hasOpenAccess W2004227592 @default.
- W2004227592 hasPrimaryLocation W20042275921 @default.
- W2004227592 hasRelatedWork W1039605956 @default.
- W2004227592 hasRelatedWork W2004227592 @default.
- W2004227592 hasRelatedWork W2017799323 @default.
- W2004227592 hasRelatedWork W2018532941 @default.
- W2004227592 hasRelatedWork W2027561672 @default.
- W2004227592 hasRelatedWork W2080848725 @default.
- W2004227592 hasRelatedWork W2111195105 @default.
- W2004227592 hasRelatedWork W2317840394 @default.
- W2004227592 hasRelatedWork W3043449820 @default.
- W2004227592 hasRelatedWork W306672167 @default.
- W2004227592 hasVolume "254" @default.
- W2004227592 isParatext "false" @default.
- W2004227592 isRetracted "false" @default.
- W2004227592 magId "2004227592" @default.
- W2004227592 workType "article" @default.