FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2000573105> ?p ?o ?g. }

• W2000573105 endingPage "808" @default.
• W2000573105 startingPage "802" @default.
• W2000573105 abstract "Recent experiments have demonstrated that the 13C NMR spectra of iodoalkynes exhibit a strong solvent effect because of complexation with Lewis-basic solvents. This paper describes DFT NMR calculations (B3LYP-GIAO with LanL2DZ or Sadlej pVTZ basis set) of iodoalkynes and their Lewis acid−base complexes, interpreted by using Natural Chemical Shift (NCS) analysis within the framework of the Ramsey formalism for chemical shift. In particular, the paper presents calculations on diiodoethyne and its complexes with one and two ammonia molecules. Examination of the orbital changes upon forming the mono- and bisammonia complexes indicates that mixing of the nitrogen lone pair with the C−I antibonding orbital increases the paramagnetic deshielding at C1. Further increases can be attributed to increased polarization of the iodine lone-pair orbitals onto C1. The haloiodoalkyne series XCCI (X = F, Cl, Br, I) offers additional support for this model of the solvent effect." @default.
• W2000573105 created "2016-06-24" @default.
• W2000573105 creator A5054402991 @default.
• W2000573105 creator A5074472153 @default.
• W2000573105 date "2005-01-08" @default.
• W2000573105 modified "2023-10-18" @default.
• W2000573105 title "Theoretical Analysis of the ¹³C NMR of Iodoalkynes upon Complexation with Lewis Bases" @default.
• W2000573105 cites W1966554361 @default.
• W2000573105 cites W1976822711 @default.
• W2000573105 cites W2035353636 @default.
• W2000573105 cites W2037254453 @default.
• W2000573105 cites W2040134477 @default.
• W2000573105 cites W2049079467 @default.
• W2000573105 cites W2082557764 @default.
• W2000573105 cites W2093252836 @default.
• W2000573105 cites W2111320650 @default.
• W2000573105 doi "https://doi.org/10.1021/jo0481809" @default.
• W2000573105 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/15675835" @default.
• W2000573105 hasPublicationYear "2005" @default.
• W2000573105 type Work @default.
• W2000573105 sameAs 2000573105 @default.
• W2000573105 citedByCount "29" @default.
• W2000573105 countsByYear W20005731052012 @default.
• W2000573105 countsByYear W20005731052013 @default.
• W2000573105 countsByYear W20005731052014 @default.
• W2000573105 countsByYear W20005731052015 @default.
• W2000573105 countsByYear W20005731052016 @default.
• W2000573105 countsByYear W20005731052017 @default.
• W2000573105 countsByYear W20005731052018 @default.
• W2000573105 countsByYear W20005731052019 @default.
• W2000573105 countsByYear W20005731052020 @default.
• W2000573105 countsByYear W20005731052021 @default.
• W2000573105 countsByYear W20005731052023 @default.
• W2000573105 crossrefType "journal-article" @default.
• W2000573105 hasAuthorship W2000573105A5054402991 @default.
• W2000573105 hasAuthorship W2000573105A5074472153 @default.
• W2000573105 hasConcept C111429119 @default.
• W2000573105 hasConcept C121332964 @default.
• W2000573105 hasConcept C1276947 @default.
• W2000573105 hasConcept C132439834 @default.
• W2000573105 hasConcept C139358910 @default.
• W2000573105 hasConcept C147120987 @default.
• W2000573105 hasConcept C147597530 @default.
• W2000573105 hasConcept C147789679 @default.
• W2000573105 hasConcept C161790260 @default.
• W2000573105 hasConcept C163111631 @default.
• W2000573105 hasConcept C163638829 @default.
• W2000573105 hasConcept C178790620 @default.
• W2000573105 hasConcept C185592680 @default.
• W2000573105 hasConcept C189394030 @default.
• W2000573105 hasConcept C196609583 @default.
• W2000573105 hasConcept C2780471494 @default.
• W2000573105 hasConcept C32909587 @default.
• W2000573105 hasConcept C46000676 @default.
• W2000573105 hasConcept C4839761 @default.
• W2000573105 hasConcept C62520636 @default.
• W2000573105 hasConcept C67787023 @default.
• W2000573105 hasConcept C71240020 @default.
• W2000573105 hasConcept C8010536 @default.
• W2000573105 hasConcept C95269574 @default.
• W2000573105 hasConceptScore W2000573105C111429119 @default.
• W2000573105 hasConceptScore W2000573105C121332964 @default.
• W2000573105 hasConceptScore W2000573105C1276947 @default.
• W2000573105 hasConceptScore W2000573105C132439834 @default.
• W2000573105 hasConceptScore W2000573105C139358910 @default.
• W2000573105 hasConceptScore W2000573105C147120987 @default.
• W2000573105 hasConceptScore W2000573105C147597530 @default.
• W2000573105 hasConceptScore W2000573105C147789679 @default.
• W2000573105 hasConceptScore W2000573105C161790260 @default.
• W2000573105 hasConceptScore W2000573105C163111631 @default.
• W2000573105 hasConceptScore W2000573105C163638829 @default.
• W2000573105 hasConceptScore W2000573105C178790620 @default.
• W2000573105 hasConceptScore W2000573105C185592680 @default.
• W2000573105 hasConceptScore W2000573105C189394030 @default.
• W2000573105 hasConceptScore W2000573105C196609583 @default.
• W2000573105 hasConceptScore W2000573105C2780471494 @default.
• W2000573105 hasConceptScore W2000573105C32909587 @default.
• W2000573105 hasConceptScore W2000573105C46000676 @default.
• W2000573105 hasConceptScore W2000573105C4839761 @default.
• W2000573105 hasConceptScore W2000573105C62520636 @default.
• W2000573105 hasConceptScore W2000573105C67787023 @default.
• W2000573105 hasConceptScore W2000573105C71240020 @default.
• W2000573105 hasConceptScore W2000573105C8010536 @default.
• W2000573105 hasConceptScore W2000573105C95269574 @default.
• W2000573105 hasIssue "3" @default.
• W2000573105 hasLocation W20005731051 @default.
• W2000573105 hasLocation W20005731052 @default.
• W2000573105 hasOpenAccess W2000573105 @default.
• W2000573105 hasPrimaryLocation W20005731051 @default.
• W2000573105 hasRelatedWork W12353453 @default.
• W2000573105 hasRelatedWork W1982003591 @default.
• W2000573105 hasRelatedWork W2000573105 @default.
• W2000573105 hasRelatedWork W2011181592 @default.
• W2000573105 hasRelatedWork W2033402311 @default.
• W2000573105 hasRelatedWork W2033747849 @default.
• W2000573105 hasRelatedWork W2079432023 @default.
• W2000573105 hasRelatedWork W2086895364 @default.
• W2000573105 hasRelatedWork W2618477646 @default.

• next