FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2005985633> ?p ?o ?g. }

• W2005985633 endingPage "264" @default.
• W2005985633 startingPage "249" @default.
• W2005985633 abstract "Structural optimizations of the apically substituted isomer of PH4O− and the diapically substituted isomer of PH3FO− with diffuse-function augmented 3–21G* basis sets and with the 6–31 + G* and 6–31 + + G* basis sets result in P-η4-coordination in these anions. The structures obtained are those of a hydride or fluoride ion “solvated” by or complexed with phosphine oxide, rather than phosphoranes. In contrast, 3–21G* basis sets without diffuse functions on the atom in the trans-apical position with regard to the oxy-substituent yield P-η5-phosphorane structures that appear to be computational artifacts of the small basis set; the formation of the P-η4-geometries is curtailed by the insufficient functional description of the potential trans-apical nucleophilic leaving group. The overall neutral apical isomers of PH4O− · E(E = Li+, NH4+), the diapical isomer of PH3FO−Li+, as well as the model-solvated apical isomer of PH4O− · HF favor P-η5-phosphorane geometries at all of these computational levels. The mechanism by which the E-group alters the electronic structures within PH4Oa− is discussed based on the geometries, the molecular orbitals, and electron density analysis techniques." @default.
• W2005985633 created "2016-06-24" @default.
• W2005985633 creator A5053438967 @default.
• W2005985633 creator A5087406810 @default.
• W2005985633 date "1990-03-01" @default.
• W2005985633 modified "2023-09-25" @default.
• W2005985633 title "?5-P- or ?4-P-Coordination in apically oxygenated phosphoranes? Anab initio study of PH4O?, PH4O? � E (E = Li+, NH4+, and HF) and related fluorinated oxyphosphoranes" @default.
• W2005985633 cites W1966632128 @default.
• W2005985633 cites W1990731672 @default.
• W2005985633 cites W1996681363 @default.
• W2005985633 cites W2001903824 @default.
• W2005985633 cites W2033990154 @default.
• W2005985633 cites W2034707833 @default.
• W2005985633 cites W2046412723 @default.
• W2005985633 cites W2056716040 @default.
• W2005985633 cites W2079473982 @default.
• W2005985633 cites W2094642658 @default.
• W2005985633 cites W2096731836 @default.
• W2005985633 cites W2128233355 @default.
• W2005985633 cites W2133524519 @default.
• W2005985633 cites W2164318957 @default.
• W2005985633 cites W275524985 @default.
• W2005985633 cites W2949473397 @default.
• W2005985633 cites W4233998925 @default.
• W2005985633 cites W2012791004 @default.
• W2005985633 doi "https://doi.org/10.1002/jcc.540110211" @default.
• W2005985633 hasPublicationYear "1990" @default.
• W2005985633 type Work @default.
• W2005985633 sameAs 2005985633 @default.
• W2005985633 citedByCount "1" @default.
• W2005985633 crossrefType "journal-article" @default.
• W2005985633 hasAuthorship W2005985633A5053438967 @default.
• W2005985633 hasAuthorship W2005985633A5087406810 @default.
• W2005985633 hasConcept C134121241 @default.
• W2005985633 hasConcept C139358910 @default.
• W2005985633 hasConcept C147597530 @default.
• W2005985633 hasConcept C152365726 @default.
• W2005985633 hasConcept C161790260 @default.
• W2005985633 hasConcept C178790620 @default.
• W2005985633 hasConcept C178907741 @default.
• W2005985633 hasConcept C179104552 @default.
• W2005985633 hasConcept C185592680 @default.
• W2005985633 hasConcept C191897082 @default.
• W2005985633 hasConcept C192562407 @default.
• W2005985633 hasConcept C2776641247 @default.
• W2005985633 hasConcept C2777716191 @default.
• W2005985633 hasConcept C2777961443 @default.
• W2005985633 hasConcept C2778689049 @default.
• W2005985633 hasConcept C2780810681 @default.
• W2005985633 hasConcept C2781082197 @default.
• W2005985633 hasConcept C2781311116 @default.
• W2005985633 hasConcept C2781442258 @default.
• W2005985633 hasConcept C32909587 @default.
• W2005985633 hasConcept C512968161 @default.
• W2005985633 hasConcept C65956243 @default.
• W2005985633 hasConcept C71240020 @default.
• W2005985633 hasConcept C8010536 @default.
• W2005985633 hasConceptScore W2005985633C134121241 @default.
• W2005985633 hasConceptScore W2005985633C139358910 @default.
• W2005985633 hasConceptScore W2005985633C147597530 @default.
• W2005985633 hasConceptScore W2005985633C152365726 @default.
• W2005985633 hasConceptScore W2005985633C161790260 @default.
• W2005985633 hasConceptScore W2005985633C178790620 @default.
• W2005985633 hasConceptScore W2005985633C178907741 @default.
• W2005985633 hasConceptScore W2005985633C179104552 @default.
• W2005985633 hasConceptScore W2005985633C185592680 @default.
• W2005985633 hasConceptScore W2005985633C191897082 @default.
• W2005985633 hasConceptScore W2005985633C192562407 @default.
• W2005985633 hasConceptScore W2005985633C2776641247 @default.
• W2005985633 hasConceptScore W2005985633C2777716191 @default.
• W2005985633 hasConceptScore W2005985633C2777961443 @default.
• W2005985633 hasConceptScore W2005985633C2778689049 @default.
• W2005985633 hasConceptScore W2005985633C2780810681 @default.
• W2005985633 hasConceptScore W2005985633C2781082197 @default.
• W2005985633 hasConceptScore W2005985633C2781311116 @default.
• W2005985633 hasConceptScore W2005985633C2781442258 @default.
• W2005985633 hasConceptScore W2005985633C32909587 @default.
• W2005985633 hasConceptScore W2005985633C512968161 @default.
• W2005985633 hasConceptScore W2005985633C65956243 @default.
• W2005985633 hasConceptScore W2005985633C71240020 @default.
• W2005985633 hasConceptScore W2005985633C8010536 @default.
• W2005985633 hasIssue "2" @default.
• W2005985633 hasLocation W20059856331 @default.
• W2005985633 hasOpenAccess W2005985633 @default.
• W2005985633 hasPrimaryLocation W20059856331 @default.
• W2005985633 hasRelatedWork W1974867266 @default.
• W2005985633 hasRelatedWork W2007407272 @default.
• W2005985633 hasRelatedWork W2018579732 @default.
• W2005985633 hasRelatedWork W2028767350 @default.
• W2005985633 hasRelatedWork W2036600219 @default.
• W2005985633 hasRelatedWork W2045378359 @default.
• W2005985633 hasRelatedWork W2570294248 @default.
• W2005985633 hasRelatedWork W3139114915 @default.
• W2005985633 hasRelatedWork W4230157914 @default.
• W2005985633 hasRelatedWork W4238737409 @default.
• W2005985633 hasVolume "11" @default.
• W2005985633 isParatext "false" @default.
• W2005985633 isRetracted "false" @default.

• next