Matches in SemOpenAlex for { <https://semopenalex.org/work/W1967530638> ?p ?o ?g. }
Showing items 1 to 88 of
88
with 100 items per page.
- W1967530638 endingPage "3592" @default.
- W1967530638 startingPage "3592" @default.
- W1967530638 abstract "The gas-phase molecular structures of 1,3λ4δ2,2,4-benzodithiadiazine and 5,6,7,8-tetrafluoro-1,3λ4δ2,2,4-benzodithiadiazine have been investigated by ab initio calculations and electron diffraction using the SARACEN method of structural analysis. Important structural parameters (rh1 structure) for the parent compound were found to be: <r(S=N)>1.546(3), r(S−N) 1.697(5), r(C−S) 1.784(5), and r(C−N) 1.393(6) Å. For the tetrafluoro derivative, these are (rh1 structure): <r(S=N)>1.552(3), r(S−N) 1.723(8), r(C−S) 1.812(9), and r(C−N) 1.396(7) Å. Furthermore, the GED experiment (Gas Electron Diffraction) quite convincingly demonstrates the nonplanarity of the former and the planarity of the latter in agreement with DFT calculations; but the results contradict calculations at the MP2 level. The effect of the fluorine atoms on the conformations of the molecules is discussed." @default.
- W1967530638 created "2016-06-24" @default.
- W1967530638 creator A5010712307 @default.
- W1967530638 creator A5028085675 @default.
- W1967530638 creator A5028198507 @default.
- W1967530638 creator A5067737335 @default.
- W1967530638 creator A5074031415 @default.
- W1967530638 creator A5075671214 @default.
- W1967530638 creator A5082468565 @default.
- W1967530638 date "2001-08-17" @default.
- W1967530638 modified "2023-10-03" @default.
- W1967530638 title "Planar 1,3λ4δ2,2,4-Benzodithiadiazine and Its Nonplanar 5,6,7,8-Tetrafluoro Derivative: Gas-Phase Structures Studied by Electron Diffraction and Ab Initio Calculations" @default.
- W1967530638 doi "https://doi.org/10.1002/1521-3765(20010817)7:16<3592::aid-chem3592>3.0.co;2-8" @default.
- W1967530638 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/11560331" @default.
- W1967530638 hasPublicationYear "2001" @default.
- W1967530638 type Work @default.
- W1967530638 sameAs 1967530638 @default.
- W1967530638 citedByCount "32" @default.
- W1967530638 countsByYear W19675306382014 @default.
- W1967530638 countsByYear W19675306382016 @default.
- W1967530638 countsByYear W19675306382018 @default.
- W1967530638 countsByYear W19675306382022 @default.
- W1967530638 crossrefType "journal-article" @default.
- W1967530638 hasAuthorship W1967530638A5010712307 @default.
- W1967530638 hasAuthorship W1967530638A5028085675 @default.
- W1967530638 hasAuthorship W1967530638A5028198507 @default.
- W1967530638 hasAuthorship W1967530638A5067737335 @default.
- W1967530638 hasAuthorship W1967530638A5074031415 @default.
- W1967530638 hasAuthorship W1967530638A5075671214 @default.
- W1967530638 hasAuthorship W1967530638A5082468565 @default.
- W1967530638 hasConcept C106159729 @default.
- W1967530638 hasConcept C111771559 @default.
- W1967530638 hasConcept C120665830 @default.
- W1967530638 hasConcept C121332964 @default.
- W1967530638 hasConcept C147597530 @default.
- W1967530638 hasConcept C147789679 @default.
- W1967530638 hasConcept C162324750 @default.
- W1967530638 hasConcept C178790620 @default.
- W1967530638 hasConcept C183971685 @default.
- W1967530638 hasConcept C185592680 @default.
- W1967530638 hasConcept C207114421 @default.
- W1967530638 hasConcept C2781442258 @default.
- W1967530638 hasConcept C3020013744 @default.
- W1967530638 hasConcept C32909587 @default.
- W1967530638 hasConcept C44280652 @default.
- W1967530638 hasConcept C68260962 @default.
- W1967530638 hasConcept C77557913 @default.
- W1967530638 hasConcept C8010536 @default.
- W1967530638 hasConceptScore W1967530638C106159729 @default.
- W1967530638 hasConceptScore W1967530638C111771559 @default.
- W1967530638 hasConceptScore W1967530638C120665830 @default.
- W1967530638 hasConceptScore W1967530638C121332964 @default.
- W1967530638 hasConceptScore W1967530638C147597530 @default.
- W1967530638 hasConceptScore W1967530638C147789679 @default.
- W1967530638 hasConceptScore W1967530638C162324750 @default.
- W1967530638 hasConceptScore W1967530638C178790620 @default.
- W1967530638 hasConceptScore W1967530638C183971685 @default.
- W1967530638 hasConceptScore W1967530638C185592680 @default.
- W1967530638 hasConceptScore W1967530638C207114421 @default.
- W1967530638 hasConceptScore W1967530638C2781442258 @default.
- W1967530638 hasConceptScore W1967530638C3020013744 @default.
- W1967530638 hasConceptScore W1967530638C32909587 @default.
- W1967530638 hasConceptScore W1967530638C44280652 @default.
- W1967530638 hasConceptScore W1967530638C68260962 @default.
- W1967530638 hasConceptScore W1967530638C77557913 @default.
- W1967530638 hasConceptScore W1967530638C8010536 @default.
- W1967530638 hasIssue "16" @default.
- W1967530638 hasLocation W19675306381 @default.
- W1967530638 hasLocation W19675306382 @default.
- W1967530638 hasOpenAccess W1967530638 @default.
- W1967530638 hasPrimaryLocation W19675306381 @default.
- W1967530638 hasRelatedWork W1967530638 @default.
- W1967530638 hasRelatedWork W1968662015 @default.
- W1967530638 hasRelatedWork W1973694908 @default.
- W1967530638 hasRelatedWork W1998508329 @default.
- W1967530638 hasRelatedWork W2000577996 @default.
- W1967530638 hasRelatedWork W2025665171 @default.
- W1967530638 hasRelatedWork W2042512759 @default.
- W1967530638 hasRelatedWork W2046944648 @default.
- W1967530638 hasRelatedWork W2080138403 @default.
- W1967530638 hasRelatedWork W2083597126 @default.
- W1967530638 hasVolume "7" @default.
- W1967530638 isParatext "false" @default.
- W1967530638 isRetracted "false" @default.
- W1967530638 magId "1967530638" @default.
- W1967530638 workType "article" @default.