FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2088593058> ?p ?o ?g. }

• W2088593058 endingPage "359" @default.
• W2088593058 startingPage "354" @default.
• W2088593058 abstract "Density functional theory (DFT) calculations have been used to investigate the process of dimerization for the three chalcogen diimides MeNENMe (E = S, Se, Te). DFT calculations for these monomers reveal that the energies of the syn,syn and syn, anti isomers differ by <3.5 kJ mol-1 for all three chalcogens while the anti,anti isomers are substantially higher in energy (by 25−39 kJ mol-1). A qualitative understanding of this difference can be derived from consideration of the electronic structures of the chalcogen diimides. In particular, the antibonding interaction between the in-plane nitrogen lone pairs and the pz orbital on sulfur destabilizes the most sterically favorable anti,anti isomer. The calculated dimerization energies for MeNENMe show that the process is endothermic (ΔE = 34.9 kJ mol-1) for E = S, approximately thermoneutral (ΔE = −2.8 kJ mol-1) for E = Se, and strongly exothermic (ΔE = −82.9 kJ mol-1) for E = Te. A qualitative analysis of the orbital interactions involved in the dimerization process reveals that the LUMOs of the diimide monomers are populated in a stabilized bonding LUMO−LUMO interaction that is lower in energy than the antibonding HOMO−HOMO interaction. The most significant contribution to the energy of dimerization is the energy required to distort the planar diimide monomer into half of the butterfly dimer." @default.
• W2088593058 created "2016-06-24" @default.
• W2088593058 creator A5028685824 @default.
• W2088593058 creator A5038188328 @default.
• W2088593058 creator A5078078997 @default.
• W2088593058 date "1998-01-01" @default.
• W2088593058 modified "2023-10-17" @default.
• W2088593058 title "Chalcogen Diimides: Relative Stabilities of Monomeric and Dimeric Structures, [E(NMe)₂]<i>_n</i> (E = S, Se, Te; <i>n</i> = 1, 2)" @default.
• W2088593058 cites W1826233890 @default.
• W2088593058 cites W1840376913 @default.
• W2088593058 cites W1964036374 @default.
• W2088593058 cites W1967691595 @default.
• W2088593058 cites W1971820888 @default.
• W2088593058 cites W1977398368 @default.
• W2088593058 cites W1978386057 @default.
• W2088593058 cites W1982449217 @default.
• W2088593058 cites W1984301894 @default.
• W2088593058 cites W1986944269 @default.
• W2088593058 cites W1993774897 @default.
• W2088593058 cites W2001980148 @default.
• W2088593058 cites W2005742088 @default.
• W2088593058 cites W2006847072 @default.
• W2088593058 cites W2023195528 @default.
• W2088593058 cites W2027715469 @default.
• W2088593058 cites W2030687437 @default.
• W2088593058 cites W2038533471 @default.
• W2088593058 cites W2048201800 @default.
• W2088593058 cites W2055230539 @default.
• W2088593058 cites W2059705011 @default.
• W2088593058 cites W2063304926 @default.
• W2088593058 cites W2064243408 @default.
• W2088593058 cites W2064602931 @default.
• W2088593058 cites W2064848918 @default.
• W2088593058 cites W2067950661 @default.
• W2088593058 cites W2072792387 @default.
• W2088593058 cites W2087622266 @default.
• W2088593058 cites W2088338736 @default.
• W2088593058 cites W2090560620 @default.
• W2088593058 cites W2123195204 @default.
• W2088593058 cites W2133095140 @default.
• W2088593058 cites W2312628565 @default.
• W2088593058 cites W2423075824 @default.
• W2088593058 cites W2949942829 @default.
• W2088593058 cites W3036723969 @default.
• W2088593058 cites W4255389013 @default.
• W2088593058 doi "https://doi.org/10.1021/ic970680f" @default.
• W2088593058 hasPublicationYear "1998" @default.
• W2088593058 type Work @default.
• W2088593058 sameAs 2088593058 @default.
• W2088593058 citedByCount "31" @default.
• W2088593058 countsByYear W20885930582013 @default.
• W2088593058 countsByYear W20885930582014 @default.
• W2088593058 countsByYear W20885930582015 @default.
• W2088593058 countsByYear W20885930582016 @default.
• W2088593058 countsByYear W20885930582018 @default.
• W2088593058 crossrefType "journal-article" @default.
• W2088593058 hasAuthorship W2088593058A5028685824 @default.
• W2088593058 hasAuthorship W2088593058A5038188328 @default.
• W2088593058 hasAuthorship W2088593058A5078078997 @default.
• W2088593058 hasConcept C121332964 @default.
• W2088593058 hasConcept C139358910 @default.
• W2088593058 hasConcept C14158195 @default.
• W2088593058 hasConcept C147120987 @default.
• W2088593058 hasConcept C147597530 @default.
• W2088593058 hasConcept C152365726 @default.
• W2088593058 hasConcept C158733187 @default.
• W2088593058 hasConcept C166940927 @default.
• W2088593058 hasConcept C178790620 @default.
• W2088593058 hasConcept C185592680 @default.
• W2088593058 hasConcept C189394030 @default.
• W2088593058 hasConcept C201194858 @default.
• W2088593058 hasConcept C2779189646 @default.
• W2088593058 hasConcept C2779546866 @default.
• W2088593058 hasConcept C2781379571 @default.
• W2088593058 hasConcept C32909587 @default.
• W2088593058 hasConcept C46000676 @default.
• W2088593058 hasConcept C521977710 @default.
• W2088593058 hasConcept C62520636 @default.
• W2088593058 hasConcept C71240020 @default.
• W2088593058 hasConcept C8010536 @default.
• W2088593058 hasConcept C95269574 @default.
• W2088593058 hasConceptScore W2088593058C121332964 @default.
• W2088593058 hasConceptScore W2088593058C139358910 @default.
• W2088593058 hasConceptScore W2088593058C14158195 @default.
• W2088593058 hasConceptScore W2088593058C147120987 @default.
• W2088593058 hasConceptScore W2088593058C147597530 @default.
• W2088593058 hasConceptScore W2088593058C152365726 @default.
• W2088593058 hasConceptScore W2088593058C158733187 @default.
• W2088593058 hasConceptScore W2088593058C166940927 @default.
• W2088593058 hasConceptScore W2088593058C178790620 @default.
• W2088593058 hasConceptScore W2088593058C185592680 @default.
• W2088593058 hasConceptScore W2088593058C189394030 @default.
• W2088593058 hasConceptScore W2088593058C201194858 @default.
• W2088593058 hasConceptScore W2088593058C2779189646 @default.
• W2088593058 hasConceptScore W2088593058C2779546866 @default.
• W2088593058 hasConceptScore W2088593058C2781379571 @default.
• W2088593058 hasConceptScore W2088593058C32909587 @default.
• W2088593058 hasConceptScore W2088593058C46000676 @default.

• next