FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2765343023> ?p ?o ?g. }

• W2765343023 endingPage "16733" @default.
• W2765343023 startingPage "16728" @default.
• W2765343023 abstract "Density functional theory (DFT) calculations have been used to study the oxidative addition of aryl halides to complexes of the type [Ni(PMenPh(3−n))4], revealing the crucial role of an open-shell singlet transition state for halide abstraction. The formation of NiI versus NiII has been rationalised through the study of three different pathways: (i) halide abstraction by [Ni(PMenPh(3−n))3], via an open-shell singlet transition state; (ii) SN2-type oxidative addition to [Ni(PMenPh(3−n))3], followed by phosphine dissociation; and (iii) oxidative addition to [Ni(PMenPh(3−n))2]. For the overall reaction between [Ni(PMe3)4], PhCl, and PhI, a microkinetic model was used to show that our results are consistent with the experimentally observed ratios of NiI and NiII when the PEt3 complex is used. Importantly, [Ni(PMenPh(3−n))2] complexes often have little, if any, role in oxidative addition reactions because they are relatively high in energy. The behaviour of [Ni(PR3)4] complexes in catalysis is therefore likely to differ considerably from those based on diphosphine ligands in which two coordinate Ni0 complexes are the key species undergoing oxidative addition." @default.
• W2765343023 created "2017-11-10" @default.
• W2765343023 creator A5007633748 @default.
• W2765343023 creator A5019047795 @default.
• W2765343023 creator A5055335680 @default.
• W2765343023 date "2017-11-20" @default.
• W2765343023 modified "2023-10-11" @default.
• W2765343023 title "Halide Abstraction Competes with Oxidative Addition in the Reactions of Aryl Halides with [Ni(PMe_n Ph_{(3−<i>n</i> )} )₄ ]" @default.
• W2765343023 cites W1917953620 @default.
• W2765343023 cites W1975670947 @default.
• W2765343023 cites W1976407428 @default.
• W2765343023 cites W1988287280 @default.
• W2765343023 cites W1990442032 @default.
• W2765343023 cites W2011215428 @default.
• W2765343023 cites W2015640724 @default.
• W2765343023 cites W2023271753 @default.
• W2765343023 cites W2024208184 @default.
• W2765343023 cites W2026701403 @default.
• W2765343023 cites W2032731092 @default.
• W2765343023 cites W2044151658 @default.
• W2765343023 cites W2047329596 @default.
• W2765343023 cites W2053014304 @default.
• W2765343023 cites W2079375920 @default.
• W2765343023 cites W2079852456 @default.
• W2765343023 cites W2085352459 @default.
• W2765343023 cites W2086815955 @default.
• W2765343023 cites W2088909395 @default.
• W2765343023 cites W2091702998 @default.
• W2765343023 cites W2092157292 @default.
• W2765343023 cites W2099308235 @default.
• W2765343023 cites W2102653059 @default.
• W2765343023 cites W2105722596 @default.
• W2765343023 cites W2115291312 @default.
• W2765343023 cites W2129941281 @default.
• W2765343023 cites W2135346135 @default.
• W2765343023 cites W2143981217 @default.
• W2765343023 cites W2145443414 @default.
• W2765343023 cites W2148284063 @default.
• W2765343023 cites W2152536688 @default.
• W2765343023 cites W2161975114 @default.
• W2765343023 cites W2171154287 @default.
• W2765343023 cites W2313394645 @default.
• W2765343023 cites W2325521630 @default.
• W2765343023 cites W2328545533 @default.
• W2765343023 cites W2333206228 @default.
• W2765343023 cites W2404853881 @default.
• W2765343023 cites W2466522572 @default.
• W2765343023 cites W2504256884 @default.
• W2765343023 cites W2567095719 @default.
• W2765343023 cites W2585481314 @default.
• W2765343023 cites W2604240418 @default.
• W2765343023 cites W2729962413 @default.
• W2765343023 cites W2743592354 @default.
• W2765343023 cites W2754582728 @default.
• W2765343023 cites W2951887129 @default.
• W2765343023 cites W389544904 @default.
• W2765343023 cites W4243908389 @default.
• W2765343023 cites W4247518293 @default.
• W2765343023 doi "https://doi.org/10.1002/chem.201702331" @default.
• W2765343023 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/5725734" @default.
• W2765343023 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29053182" @default.
• W2765343023 hasPublicationYear "2017" @default.
• W2765343023 type Work @default.
• W2765343023 sameAs 2765343023 @default.
• W2765343023 citedByCount "41" @default.
• W2765343023 countsByYear W27653430232018 @default.
• W2765343023 countsByYear W27653430232019 @default.
• W2765343023 countsByYear W27653430232020 @default.
• W2765343023 countsByYear W27653430232021 @default.
• W2765343023 countsByYear W27653430232022 @default.
• W2765343023 countsByYear W27653430232023 @default.
• W2765343023 crossrefType "journal-article" @default.
• W2765343023 hasAuthorship W2765343023A5007633748 @default.
• W2765343023 hasAuthorship W2765343023A5019047795 @default.
• W2765343023 hasAuthorship W2765343023A5055335680 @default.
• W2765343023 hasBestOaLocation W27653430231 @default.
• W2765343023 hasConcept C102931765 @default.
• W2765343023 hasConcept C106773901 @default.
• W2765343023 hasConcept C121332964 @default.
• W2765343023 hasConcept C147597530 @default.
• W2765343023 hasConcept C147789679 @default.
• W2765343023 hasConcept C152365726 @default.
• W2765343023 hasConcept C155647269 @default.
• W2765343023 hasConcept C161790260 @default.
• W2765343023 hasConcept C171560689 @default.
• W2765343023 hasConcept C178790620 @default.
• W2765343023 hasConcept C179104552 @default.
• W2765343023 hasConcept C181500209 @default.
• W2765343023 hasConcept C185544564 @default.
• W2765343023 hasConcept C185592680 @default.
• W2765343023 hasConcept C2776241998 @default.
• W2765343023 hasConcept C2777716191 @default.
• W2765343023 hasConcept C2780263894 @default.
• W2765343023 hasConcept C2781076698 @default.
• W2765343023 hasConcept C33062035 @default.
• W2765343023 hasConcept C55493867 @default.
• W2765343023 hasConcept C57600042 @default.
• W2765343023 hasConcept C75473681 @default.

• next