Matches in SemOpenAlex for { <https://semopenalex.org/work/W4313830335> ?p ?o ?g. }
- W4313830335 abstract "Historically, Dewar-Chatt-Duncanson (DCD) model is a heuristic device to advance the development of organometallic chemistry and deepen our understanding of the metal-ligand bonding nature. Zeise's ion, the first man-made organometallic compound and a quintessential transition metal-olefin complex, was qualitatively explained using the DCD bonding scheme in 1950s. In this work, we quantified the explicit contributions of the σ donation and π back-donation to the metal-ligand bonding in Zeise and its family ions, [PtX3 L]- (X=F, Cl, Br, I, and At; L=C2 H4 , CO, and N2 ), using state-of-the-art quantum chemical calculations and energy decomposition analysis. The relative importance of the σ donation and π back-donation depends on both X and L, with [PtCl3 (C2 H4 )]- being a critical case in which the σ donation is marginally weaker than the π back-donation. The changes along this series are controlled by the energy levels of the correlated molecular orbitals of PtX3- and ligand L. This study deepens our understanding of the bonding properties for transition metal complexes beyond the qualitative description of the DCD model." @default.
- W4313830335 created "2023-01-09" @default.
- W4313830335 creator A5053967127 @default.
- W4313830335 creator A5072079704 @default.
- W4313830335 creator A5077918490 @default.
- W4313830335 creator A5087238533 @default.
- W4313830335 date "2023-01-24" @default.
- W4313830335 modified "2023-09-27" @default.
- W4313830335 title "Quantitative Descriptions of Dewar‐Chatt‐Duncanson Bonding Model: A Case Study of Zeise and Its Family Ions" @default.
- W4313830335 cites W1194506251 @default.
- W4313830335 cites W1563033401 @default.
- W4313830335 cites W1965092590 @default.
- W4313830335 cites W1969590065 @default.
- W4313830335 cites W1979590942 @default.
- W4313830335 cites W1982081285 @default.
- W4313830335 cites W1983656816 @default.
- W4313830335 cites W1985787594 @default.
- W4313830335 cites W1999233351 @default.
- W4313830335 cites W2005220728 @default.
- W4313830335 cites W2006130370 @default.
- W4313830335 cites W2006686339 @default.
- W4313830335 cites W2008429480 @default.
- W4313830335 cites W2008451831 @default.
- W4313830335 cites W2011107192 @default.
- W4313830335 cites W2022303350 @default.
- W4313830335 cites W2023246165 @default.
- W4313830335 cites W2026403008 @default.
- W4313830335 cites W2026736948 @default.
- W4313830335 cites W2030687437 @default.
- W4313830335 cites W2042944554 @default.
- W4313830335 cites W2045725042 @default.
- W4313830335 cites W2052267062 @default.
- W4313830335 cites W2052692285 @default.
- W4313830335 cites W2056378649 @default.
- W4313830335 cites W2057240944 @default.
- W4313830335 cites W2067718414 @default.
- W4313830335 cites W2070490613 @default.
- W4313830335 cites W2074216327 @default.
- W4313830335 cites W2076902862 @default.
- W4313830335 cites W2078040736 @default.
- W4313830335 cites W2080506484 @default.
- W4313830335 cites W2086957099 @default.
- W4313830335 cites W2091208014 @default.
- W4313830335 cites W2091265002 @default.
- W4313830335 cites W2092157292 @default.
- W4313830335 cites W2112850441 @default.
- W4313830335 cites W2143981217 @default.
- W4313830335 cites W2146500149 @default.
- W4313830335 cites W2148941593 @default.
- W4313830335 cites W2150345533 @default.
- W4313830335 cites W2150697053 @default.
- W4313830335 cites W2164707335 @default.
- W4313830335 cites W2315103673 @default.
- W4313830335 cites W2758505161 @default.
- W4313830335 cites W2783205248 @default.
- W4313830335 cites W2800734161 @default.
- W4313830335 cites W2889194895 @default.
- W4313830335 cites W2898434977 @default.
- W4313830335 cites W2908265108 @default.
- W4313830335 cites W2951913184 @default.
- W4313830335 cites W2952736849 @default.
- W4313830335 cites W2988288436 @default.
- W4313830335 cites W2997866345 @default.
- W4313830335 cites W3005006429 @default.
- W4313830335 cites W3025072174 @default.
- W4313830335 cites W3037463143 @default.
- W4313830335 cites W3137283670 @default.
- W4313830335 cites W3193624440 @default.
- W4313830335 cites W4210981291 @default.
- W4313830335 doi "https://doi.org/10.1002/cphc.202200835" @default.
- W4313830335 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36622739" @default.
- W4313830335 hasPublicationYear "2023" @default.
- W4313830335 type Work @default.
- W4313830335 citedByCount "1" @default.
- W4313830335 countsByYear W43138303352023 @default.
- W4313830335 crossrefType "journal-article" @default.
- W4313830335 hasAuthorship W4313830335A5053967127 @default.
- W4313830335 hasAuthorship W4313830335A5072079704 @default.
- W4313830335 hasAuthorship W4313830335A5077918490 @default.
- W4313830335 hasAuthorship W4313830335A5087238533 @default.
- W4313830335 hasConcept C106773901 @default.
- W4313830335 hasConcept C115624301 @default.
- W4313830335 hasConcept C116569031 @default.
- W4313830335 hasConcept C147597530 @default.
- W4313830335 hasConcept C147789679 @default.
- W4313830335 hasConcept C161790260 @default.
- W4313830335 hasConcept C170493617 @default.
- W4313830335 hasConcept C178790620 @default.
- W4313830335 hasConcept C185592680 @default.
- W4313830335 hasConcept C514695523 @default.
- W4313830335 hasConcept C55493867 @default.
- W4313830335 hasConcept C8010536 @default.
- W4313830335 hasConceptScore W4313830335C106773901 @default.
- W4313830335 hasConceptScore W4313830335C115624301 @default.
- W4313830335 hasConceptScore W4313830335C116569031 @default.
- W4313830335 hasConceptScore W4313830335C147597530 @default.
- W4313830335 hasConceptScore W4313830335C147789679 @default.
- W4313830335 hasConceptScore W4313830335C161790260 @default.
- W4313830335 hasConceptScore W4313830335C170493617 @default.
- W4313830335 hasConceptScore W4313830335C178790620 @default.