Matches in SemOpenAlex for { <https://semopenalex.org/work/W2349684415> ?p ?o ?g. }
Showing items 1 to 79 of
79
with 100 items per page.
- W2349684415 abstract "The structures of 2,7'-(Ethylene)-bis-8-hydroxyquinoline [2,7'-Ethq2] and its metal-organic compounds M(2,7'-Ethq2)2(M=Zn,Mg,Be)were optimized at B3LYP/6-31G level.The absorption spectra based on the above structure were obtained by the time-dependent density functional theory TD-B3LYP with the 6-31G basis set and ZINDO methods.At the same time,dihydrogen bond in 2,7'-Ethq2 and M(2,7'-Ethq2)2 have been studied using NBO analysis.The calculated results of absorption spectrum for 2,7'-Ethq2 are in good agreement with the experimental data.All compounds are excellent electrontransporting materials,absorption spectrum wave bands of which can be tuned little by different metals on the ligand of 2,7'-(Ethylene)-bis-8-hydroxyquinoline anion.The absorption of M(2,7'-Ethq2)2 have a substance red shift compared with that of 2,7'-Ethq2.There are also intramolecular hydrogen bonds in the molecules,which make the molecules more stable." @default.
- W2349684415 created "2016-06-24" @default.
- W2349684415 creator A5001207489 @default.
- W2349684415 date "2008-01-01" @default.
- W2349684415 modified "2023-09-25" @default.
- W2349684415 title "Theory Calculation of 2,7'-(Ethylene)-bis-8-hydroxyquinoline and Its Metal-organic Compounds by Means of DFT and NBO" @default.
- W2349684415 hasPublicationYear "2008" @default.
- W2349684415 type Work @default.
- W2349684415 sameAs 2349684415 @default.
- W2349684415 citedByCount "0" @default.
- W2349684415 crossrefType "journal-article" @default.
- W2349684415 hasAuthorship W2349684415A5001207489 @default.
- W2349684415 hasConcept C112887158 @default.
- W2349684415 hasConcept C119824511 @default.
- W2349684415 hasConcept C121332964 @default.
- W2349684415 hasConcept C125287762 @default.
- W2349684415 hasConcept C130188946 @default.
- W2349684415 hasConcept C147597530 @default.
- W2349684415 hasConcept C147789679 @default.
- W2349684415 hasConcept C152365726 @default.
- W2349684415 hasConcept C159985019 @default.
- W2349684415 hasConcept C161790260 @default.
- W2349684415 hasConcept C178790620 @default.
- W2349684415 hasConcept C185592680 @default.
- W2349684415 hasConcept C192562407 @default.
- W2349684415 hasConcept C199164860 @default.
- W2349684415 hasConcept C2778597550 @default.
- W2349684415 hasConcept C2778627677 @default.
- W2349684415 hasConcept C32909587 @default.
- W2349684415 hasConcept C544153396 @default.
- W2349684415 hasConcept C62520636 @default.
- W2349684415 hasConcept C75079739 @default.
- W2349684415 hasConceptScore W2349684415C112887158 @default.
- W2349684415 hasConceptScore W2349684415C119824511 @default.
- W2349684415 hasConceptScore W2349684415C121332964 @default.
- W2349684415 hasConceptScore W2349684415C125287762 @default.
- W2349684415 hasConceptScore W2349684415C130188946 @default.
- W2349684415 hasConceptScore W2349684415C147597530 @default.
- W2349684415 hasConceptScore W2349684415C147789679 @default.
- W2349684415 hasConceptScore W2349684415C152365726 @default.
- W2349684415 hasConceptScore W2349684415C159985019 @default.
- W2349684415 hasConceptScore W2349684415C161790260 @default.
- W2349684415 hasConceptScore W2349684415C178790620 @default.
- W2349684415 hasConceptScore W2349684415C185592680 @default.
- W2349684415 hasConceptScore W2349684415C192562407 @default.
- W2349684415 hasConceptScore W2349684415C199164860 @default.
- W2349684415 hasConceptScore W2349684415C2778597550 @default.
- W2349684415 hasConceptScore W2349684415C2778627677 @default.
- W2349684415 hasConceptScore W2349684415C32909587 @default.
- W2349684415 hasConceptScore W2349684415C544153396 @default.
- W2349684415 hasConceptScore W2349684415C62520636 @default.
- W2349684415 hasConceptScore W2349684415C75079739 @default.
- W2349684415 hasLocation W23496844151 @default.
- W2349684415 hasOpenAccess W2349684415 @default.
- W2349684415 hasPrimaryLocation W23496844151 @default.
- W2349684415 hasRelatedWork W1998438975 @default.
- W2349684415 hasRelatedWork W2028218252 @default.
- W2349684415 hasRelatedWork W2037479957 @default.
- W2349684415 hasRelatedWork W2052806006 @default.
- W2349684415 hasRelatedWork W2054308459 @default.
- W2349684415 hasRelatedWork W2059834902 @default.
- W2349684415 hasRelatedWork W2075264693 @default.
- W2349684415 hasRelatedWork W2089744897 @default.
- W2349684415 hasRelatedWork W2090609190 @default.
- W2349684415 hasRelatedWork W2269667923 @default.
- W2349684415 hasRelatedWork W2345417369 @default.
- W2349684415 hasRelatedWork W2352054117 @default.
- W2349684415 hasRelatedWork W2354512996 @default.
- W2349684415 hasRelatedWork W2388485762 @default.
- W2349684415 hasRelatedWork W2536168019 @default.
- W2349684415 hasRelatedWork W2658820455 @default.
- W2349684415 hasRelatedWork W3140283499 @default.
- W2349684415 hasRelatedWork W3164242160 @default.
- W2349684415 hasRelatedWork W3184093838 @default.
- W2349684415 hasRelatedWork W2613486952 @default.
- W2349684415 isParatext "false" @default.
- W2349684415 isRetracted "false" @default.
- W2349684415 magId "2349684415" @default.
- W2349684415 workType "article" @default.