FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2907830052> ?p ?o ?g. }

• W2907830052 endingPage "1300" @default.
• W2907830052 startingPage "1290" @default.
• W2907830052 abstract "Heterobimetallic uranium–transition metal (U–TM) complexes have abundant active centers (two metals and several ancillary ligands with various donor atoms) and possible metal–metal bonding interaction, leading to diversified electronic structures and rather complicated electronic transition types. In this regard, a comprehensive and systematic theoretical study is highly desired although challenging. In the work, density functional theory (DFT) was utilized to examine a series of uranium–group 10 metal complexes supported by bidentate phosphinoaryl oxide ligands (labeled as L). TM (Ni, Pd, and Pt), uranium oxidation state (IV and III) and axial donor (I, Br, Cl, F, Me3SiO, and vacant) were varied. Calculations demonstrate an intrinsic TM → U dative bond. The order of bond strength of U–Ni > U–Pt > U–Pd is suggested by the formal shortness ratios, quantum theory of atoms in molecule (QTAIM) data, interaction energy (Eint), and bond orders calculated at various levels of theory. It is further evidenced by relativistic effects of heavy metal, natural orbital population and electronic spectroscopy. Regarding U–Ni complexes with different axial donors, metal–metal distances are found to be linearly correlated with QTAIM data/Eint/bond orders. Experimental UV–vis–NIR spectra were well reproduced by time-dependent DFT calculations. Complicated visible-light absorption bands, whose understanding remains unclear for many experimentally known heterobimetallic complexes, were rationalized in the work, along with NIR bands assigned as 5f → 5f transitions." @default.
• W2907830052 created "2019-01-11" @default.
• W2907830052 creator A5027475930 @default.
• W2907830052 creator A5055593415 @default.
• W2907830052 creator A5064791083 @default.
• W2907830052 creator A5072831412 @default.
• W2907830052 date "2019-01-04" @default.
• W2907830052 modified "2023-10-14" @default.
• W2907830052 title "Heterobimetallic Uranium–Nickel/Palladium/Platinum Complexes of Phosphinoaryl Oxide Ligands: A Theoretical Probe for Metal–Metal Bonding and Electronic Spectroscopy" @default.
• W2907830052 cites W1514523329 @default.
• W2907830052 cites W1976263143 @default.
• W2907830052 cites W1979214484 @default.
• W2907830052 cites W1981111904 @default.
• W2907830052 cites W1982821454 @default.
• W2907830052 cites W1991360475 @default.
• W2907830052 cites W1992963463 @default.
• W2907830052 cites W1994253622 @default.
• W2907830052 cites W1995400769 @default.
• W2907830052 cites W2003774307 @default.
• W2907830052 cites W2005904599 @default.
• W2907830052 cites W2012334426 @default.
• W2907830052 cites W2024360288 @default.
• W2907830052 cites W2029867653 @default.
• W2907830052 cites W2035192420 @default.
• W2907830052 cites W2038083805 @default.
• W2907830052 cites W2043327592 @default.
• W2907830052 cites W2045433610 @default.
• W2907830052 cites W2050247157 @default.
• W2907830052 cites W2050248303 @default.
• W2907830052 cites W2051576324 @default.
• W2907830052 cites W2053402733 @default.
• W2907830052 cites W2053449524 @default.
• W2907830052 cites W2062838741 @default.
• W2907830052 cites W2063663126 @default.
• W2907830052 cites W2066381802 @default.
• W2907830052 cites W2067231967 @default.
• W2907830052 cites W2068228867 @default.
• W2907830052 cites W2069197437 @default.
• W2907830052 cites W2073813840 @default.
• W2907830052 cites W2077868644 @default.
• W2907830052 cites W2081404845 @default.
• W2907830052 cites W2081940673 @default.
• W2907830052 cites W2083193601 @default.
• W2907830052 cites W2085542097 @default.
• W2907830052 cites W2090359530 @default.
• W2907830052 cites W2095374362 @default.
• W2907830052 cites W2095474273 @default.
• W2907830052 cites W2105860347 @default.
• W2907830052 cites W2108446403 @default.
• W2907830052 cites W2111635759 @default.
• W2907830052 cites W2120440338 @default.
• W2907830052 cites W2126895673 @default.
• W2907830052 cites W2129757316 @default.
• W2907830052 cites W2132525235 @default.
• W2907830052 cites W2135261637 @default.
• W2907830052 cites W2142755824 @default.
• W2907830052 cites W2150345533 @default.
• W2907830052 cites W2151324716 @default.
• W2907830052 cites W2152970491 @default.
• W2907830052 cites W2153453827 @default.
• W2907830052 cites W2154632727 @default.
• W2907830052 cites W2159878637 @default.
• W2907830052 cites W2166198169 @default.
• W2907830052 cites W2169655552 @default.
• W2907830052 cites W2170742319 @default.
• W2907830052 cites W2276657017 @default.
• W2907830052 cites W2311995506 @default.
• W2907830052 cites W2321872470 @default.
• W2907830052 cites W2325992133 @default.
• W2907830052 cites W2334842634 @default.
• W2907830052 cites W2335170026 @default.
• W2907830052 cites W2406109374 @default.
• W2907830052 cites W2584613702 @default.
• W2907830052 cites W2652219040 @default.
• W2907830052 cites W2736613592 @default.
• W2907830052 cites W2775676426 @default.
• W2907830052 cites W2790885821 @default.
• W2907830052 cites W2795296699 @default.
• W2907830052 cites W2799384130 @default.
• W2907830052 cites W2950982039 @default.
• W2907830052 cites W3005325205 @default.
• W2907830052 cites W4239670498 @default.
• W2907830052 doi "https://doi.org/10.1021/acs.inorgchem.8b02787" @default.
• W2907830052 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30608156" @default.
• W2907830052 hasPublicationYear "2019" @default.
• W2907830052 type Work @default.
• W2907830052 sameAs 2907830052 @default.
• W2907830052 citedByCount "13" @default.
• W2907830052 countsByYear W29078300522019 @default.
• W2907830052 countsByYear W29078300522020 @default.
• W2907830052 countsByYear W29078300522021 @default.
• W2907830052 countsByYear W29078300522022 @default.
• W2907830052 countsByYear W29078300522023 @default.
• W2907830052 crossrefType "journal-article" @default.
• W2907830052 hasAuthorship W2907830052A5027475930 @default.
• W2907830052 hasAuthorship W2907830052A5055593415 @default.
• W2907830052 hasAuthorship W2907830052A5064791083 @default.
• W2907830052 hasAuthorship W2907830052A5072831412 @default.

• next