FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1997083422> ?p ?o ?g. }

• W1997083422 endingPage "24" @default.
• W1997083422 startingPage "13" @default.
• W1997083422 abstract "This paper reports a computational study of methane activation by the HgN and HgF bonds of the HgII complexes FHgNZ (where NZ is NH2, NO2, N3, NC, NCO, NCS, NO, NS, N2H). The present study probes the thermodynamic and kinetic effects of activating ligand (La) modification for a given spectator ligand (Ls) and vice versa. The wide range of calculated kinetic and thermodynamic values indicates a degree of sensitivity in methane activation by HgII complexes to the ligand environment. The trends show that [2σ + 2σ] activation of a methane CH bond by HgII complexes is thermodynamically favored by a more basic activating ligand and a less basic spectator ligand. The lowest methane activation barriers are observed for an activating ligand with variable denticity (i.e. NO2) that can provide extra stabilization for the methane activation transition state versus the ground state. The implications of the results for experimental HgII methane conversion catalysts are discussed." @default.
• W1997083422 created "2016-06-24" @default.
• W1997083422 creator A5002429763 @default.
• W1997083422 creator A5016307485 @default.
• W1997083422 creator A5030200062 @default.
• W1997083422 date "1998-02-01" @default.
• W1997083422 modified "2023-10-03" @default.
• W1997083422 title "Ligand and substituent effects in methane activation by mercury(II) complexes" @default.
• W1997083422 cites W1968416158 @default.
• W1997083422 cites W1973243557 @default.
• W1997083422 cites W1975431947 @default.
• W1997083422 cites W1976742574 @default.
• W1997083422 cites W1981684248 @default.
• W1997083422 cites W1981726635 @default.
• W1997083422 cites W1981894125 @default.
• W1997083422 cites W1988654987 @default.
• W1997083422 cites W1992818778 @default.
• W1997083422 cites W1993461592 @default.
• W1997083422 cites W2001583340 @default.
• W1997083422 cites W2001688220 @default.
• W1997083422 cites W2008820688 @default.
• W1997083422 cites W2011855795 @default.
• W1997083422 cites W2017072458 @default.
• W1997083422 cites W2021523869 @default.
• W1997083422 cites W2022950330 @default.
• W1997083422 cites W2030972158 @default.
• W1997083422 cites W2033152097 @default.
• W1997083422 cites W2039996507 @default.
• W1997083422 cites W2044940178 @default.
• W1997083422 cites W2059207381 @default.
• W1997083422 cites W2078126741 @default.
• W1997083422 cites W2079084341 @default.
• W1997083422 cites W2079288760 @default.
• W1997083422 cites W2080048584 @default.
• W1997083422 cites W2080412306 @default.
• W1997083422 cites W2087294451 @default.
• W1997083422 cites W2088675550 @default.
• W1997083422 cites W2092555470 @default.
• W1997083422 cites W2279779346 @default.
• W1997083422 cites W250153654 @default.
• W1997083422 cites W274633138 @default.
• W1997083422 cites W282093307 @default.
• W1997083422 cites W2951476354 @default.
• W1997083422 cites W2951654204 @default.
• W1997083422 cites W2952815417 @default.
• W1997083422 cites W3004861032 @default.
• W1997083422 cites W3005102384 @default.
• W1997083422 doi "https://doi.org/10.1016/s0166-1280(97)00133-4" @default.
• W1997083422 hasPublicationYear "1998" @default.
• W1997083422 type Work @default.
• W1997083422 sameAs 1997083422 @default.
• W1997083422 citedByCount "13" @default.
• W1997083422 countsByYear W19970834222013 @default.
• W1997083422 countsByYear W19970834222017 @default.
• W1997083422 countsByYear W19970834222022 @default.
• W1997083422 crossrefType "journal-article" @default.
• W1997083422 hasAuthorship W1997083422A5002429763 @default.
• W1997083422 hasAuthorship W1997083422A5016307485 @default.
• W1997083422 hasAuthorship W1997083422A5030200062 @default.
• W1997083422 hasConcept C115624301 @default.
• W1997083422 hasConcept C116569031 @default.
• W1997083422 hasConcept C121332964 @default.
• W1997083422 hasConcept C135889238 @default.
• W1997083422 hasConcept C147789679 @default.
• W1997083422 hasConcept C161790260 @default.
• W1997083422 hasConcept C170493617 @default.
• W1997083422 hasConcept C178516000 @default.
• W1997083422 hasConcept C178790620 @default.
• W1997083422 hasConcept C185592680 @default.
• W1997083422 hasConcept C2778689049 @default.
• W1997083422 hasConcept C516920438 @default.
• W1997083422 hasConcept C55493867 @default.
• W1997083422 hasConcept C62520636 @default.
• W1997083422 hasConcept C71240020 @default.
• W1997083422 hasConcept C8010536 @default.
• W1997083422 hasConcept C95121573 @default.
• W1997083422 hasConceptScore W1997083422C115624301 @default.
• W1997083422 hasConceptScore W1997083422C116569031 @default.
• W1997083422 hasConceptScore W1997083422C121332964 @default.
• W1997083422 hasConceptScore W1997083422C135889238 @default.
• W1997083422 hasConceptScore W1997083422C147789679 @default.
• W1997083422 hasConceptScore W1997083422C161790260 @default.
• W1997083422 hasConceptScore W1997083422C170493617 @default.
• W1997083422 hasConceptScore W1997083422C178516000 @default.
• W1997083422 hasConceptScore W1997083422C178790620 @default.
• W1997083422 hasConceptScore W1997083422C185592680 @default.
• W1997083422 hasConceptScore W1997083422C2778689049 @default.
• W1997083422 hasConceptScore W1997083422C516920438 @default.
• W1997083422 hasConceptScore W1997083422C55493867 @default.
• W1997083422 hasConceptScore W1997083422C62520636 @default.
• W1997083422 hasConceptScore W1997083422C71240020 @default.
• W1997083422 hasConceptScore W1997083422C8010536 @default.
• W1997083422 hasConceptScore W1997083422C95121573 @default.
• W1997083422 hasIssue "1-2" @default.
• W1997083422 hasLocation W19970834221 @default.
• W1997083422 hasOpenAccess W1997083422 @default.
• W1997083422 hasPrimaryLocation W19970834221 @default.
• W1997083422 hasRelatedWork W1487025253 @default.

• next