Matches in SemOpenAlex for { <https://semopenalex.org/work/W4297776110> ?p ?o ?g. }
Showing items 1 to 71 of
71
with 100 items per page.
- W4297776110 abstract "Photophysical and photochemical dynamics of ground state and excited state proton transfer reaction is reported for Pyrrole 2-Carboxyldehyde (PCL). Steady state absorption and emission measurements are conducted in PCL. The theoretical investigation is done by using different quantum mechanical methods (e.g. Hartree Fock, DFT, MP2, CCSD etc.). The reaction pathway and two dimensional potential energy surfaces are computed in various level of theory. A transition state is also reported in gas phase and reaction filed calculation. It is established that PCL forms different emitting species in different media. A large Stokes shifted emission band, which is attributed to species undergoing excited state intramolecular proton transfer, is observed in hydrocarbon solvent. Intermolecular proton transfer is observed in hydroxylic polar solvent. Experimental observations yield all possible signatures of intramolecular and intermolecular proton transfer in excited state of PCL. The origins of these signatures have been explained successfully using corresponding quantum mechanical theories." @default.
- W4297776110 created "2022-10-01" @default.
- W4297776110 creator A5036965664 @default.
- W4297776110 creator A5038245450 @default.
- W4297776110 creator A5056769747 @default.
- W4297776110 creator A5068756847 @default.
- W4297776110 date "2009-01-24" @default.
- W4297776110 modified "2023-10-18" @default.
- W4297776110 title "Study of Proton Transfer Reaction Dynamics in Pyrrole 2-Carboxyldehyde" @default.
- W4297776110 doi "https://doi.org/10.48550/arxiv.0901.3830" @default.
- W4297776110 hasPublicationYear "2009" @default.
- W4297776110 type Work @default.
- W4297776110 citedByCount "0" @default.
- W4297776110 crossrefType "posted-content" @default.
- W4297776110 hasAuthorship W4297776110A5036965664 @default.
- W4297776110 hasAuthorship W4297776110A5038245450 @default.
- W4297776110 hasAuthorship W4297776110A5056769747 @default.
- W4297776110 hasAuthorship W4297776110A5068756847 @default.
- W4297776110 hasBestOaLocation W42977761101 @default.
- W4297776110 hasConcept C121332964 @default.
- W4297776110 hasConcept C121745418 @default.
- W4297776110 hasConcept C147597530 @default.
- W4297776110 hasConcept C159467904 @default.
- W4297776110 hasConcept C166950319 @default.
- W4297776110 hasConcept C171001562 @default.
- W4297776110 hasConcept C178790620 @default.
- W4297776110 hasConcept C181500209 @default.
- W4297776110 hasConcept C184779094 @default.
- W4297776110 hasConcept C185592680 @default.
- W4297776110 hasConcept C32909587 @default.
- W4297776110 hasConcept C54516573 @default.
- W4297776110 hasConcept C62520636 @default.
- W4297776110 hasConcept C69523127 @default.
- W4297776110 hasConcept C71240020 @default.
- W4297776110 hasConcept C75079739 @default.
- W4297776110 hasConcept C75473681 @default.
- W4297776110 hasConcept C91881484 @default.
- W4297776110 hasConceptScore W4297776110C121332964 @default.
- W4297776110 hasConceptScore W4297776110C121745418 @default.
- W4297776110 hasConceptScore W4297776110C147597530 @default.
- W4297776110 hasConceptScore W4297776110C159467904 @default.
- W4297776110 hasConceptScore W4297776110C166950319 @default.
- W4297776110 hasConceptScore W4297776110C171001562 @default.
- W4297776110 hasConceptScore W4297776110C178790620 @default.
- W4297776110 hasConceptScore W4297776110C181500209 @default.
- W4297776110 hasConceptScore W4297776110C184779094 @default.
- W4297776110 hasConceptScore W4297776110C185592680 @default.
- W4297776110 hasConceptScore W4297776110C32909587 @default.
- W4297776110 hasConceptScore W4297776110C54516573 @default.
- W4297776110 hasConceptScore W4297776110C62520636 @default.
- W4297776110 hasConceptScore W4297776110C69523127 @default.
- W4297776110 hasConceptScore W4297776110C71240020 @default.
- W4297776110 hasConceptScore W4297776110C75079739 @default.
- W4297776110 hasConceptScore W4297776110C75473681 @default.
- W4297776110 hasConceptScore W4297776110C91881484 @default.
- W4297776110 hasLocation W42977761101 @default.
- W4297776110 hasOpenAccess W4297776110 @default.
- W4297776110 hasPrimaryLocation W42977761101 @default.
- W4297776110 hasRelatedWork W2014834113 @default.
- W4297776110 hasRelatedWork W2027666514 @default.
- W4297776110 hasRelatedWork W2031979866 @default.
- W4297776110 hasRelatedWork W2037760779 @default.
- W4297776110 hasRelatedWork W2052803775 @default.
- W4297776110 hasRelatedWork W2069921096 @default.
- W4297776110 hasRelatedWork W2079030678 @default.
- W4297776110 hasRelatedWork W213070626 @default.
- W4297776110 hasRelatedWork W2952918554 @default.
- W4297776110 hasRelatedWork W3005451802 @default.
- W4297776110 isParatext "false" @default.
- W4297776110 isRetracted "false" @default.
- W4297776110 workType "article" @default.