Balancing Steric and Electronic Effects in Carbonyl–Phosphine Molybdacarboranes
Sign Up to like & getrecommendations! Published in 2017 at "European Journal of Inorganic Chemistry"
DOI: 10.1002/ejic.201700492
Abstract: Analysis of the literature structures [(CO)(PPh3)2MC2B9H11] and [(CO)2(PPh3)MC2B9H11] suggests that in [L3MC2B9H11] metallacarboranes the trans influence of CO is greater than that of PPh3. Extending this study to the [L4MC2B9H11] system the new molybdacarboranes [3,3,3-(CO)3-3-PPh3-3,1,2-closo-MoC2B9H11]… read more here.
Keywords: pph3; steric electronic; pph3 closo; trans cage ... See more keywords
Steric and Electronic Effects in Gold N‐Heterocyclic Carbene Complexes Revealed by Computational Analysis
Sign Up to like & getrecommendations! Published in 2019 at "ChemistryOpen"
DOI: 10.1002/open.201900076
Abstract: Abstract A computational analysis of a series of cationic and neutral gold imidazolylidene and benzimidizolylidene complexes is reported. The Bond Dissociation Energies of the various ligands in the complexes calculated at the PBE0‐D3/def2‐TZVP level of… read more here.
Keywords: effects gold; steric electronic; analysis; computational analysis ... See more keywords
A computational study of the interplay of steric and electronic effects in the stabilization of 1,3-(diamino)oxyallyls
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2018.02.029
Abstract: Abstract Ring opening of cyclopropanones affords non-Kekule oxyallyls, which are usually fleeting intermediates. However, recent experimental results showed that amino-substituted versions can be stable enough to be characterized in solution by NMR spectroscopy. Herein, the… read more here.
Keywords: steric electronic; stabilization; study interplay; computational study ... See more keywords
Steric and electronic effect of secondary phosphines in reactions with cyclopalladated complexes
Sign Up to like & getrecommendations! Published in 2019 at "Polyhedron"
DOI: 10.1016/j.poly.2018.11.055
Abstract: Abstract Reactions of secondary phosphines HPR1R2 [R1 = R2 = p-MeOC6H4 (b), p-CF3C6H4 (c), mesityl (Mes, d) or 1-adamantyl (Ad, e); R1 = t-Bu, R2 = Ph (f)] with cyclopalladated complexes (CPCs) derived from N,N-dimethylbenzylamine (1), l -fenchone methyloxime (3), (S)-N,N-dimethylbenzylamine (9), and… read more here.
Keywords: effect secondary; steric electronic; secondary phosphines; phosphines reactions ... See more keywords
Structural and Spectroscopic Studies of Steric and Electronic Substituent Effects in a Series of Magnesium Aminodiboranates Mg[(BH3)2NMeR]2.
Sign Up to like & getrecommendations! Published in 2023 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.2c03963
Abstract: The magnesium N,N-dimethylaminodiboranate compound Mg[(BH3)2NMe2]2, the most volatile compound of magnesium known, serves as an excellent chemical vapor deposition (CVD) precursor for the growth of thin films such as the dielectric material MgO. To explore… read more here.
Keywords: magnesium; series; bh3 2nmer; magnesium aminodiboranates ... See more keywords
Interplay of Steric and Electronic Effects on the Bonding Components in Aromatic Ring Agostic Interactions
Sign Up to like & getrecommendations! Published in 2017 at "Organometallics"
DOI: 10.1021/acs.organomet.7b00656
Abstract: Density functional theory (DFT) calculations on the effect of steric size adjacent to an agostic interaction in ligand assisted Pd–C bond formation involving aromatic rings gives insight into why the synthetic reaction can fail as… read more here.
Keywords: steric electronic; effects bonding; donation; aromatic ring ... See more keywords
Steric- and Electronic-Controlled Intramolecular [2 + 2]-Cycloaddition of Cyclohexadienone-Containing 1,7-Enynes.
Sign Up to like & getrecommendations! Published in 2022 at "Organic letters"
DOI: 10.1021/acs.orglett.1c04232
Abstract: Herein we have developed the silver-catalyzed electronic- and steric-controlled intramolecular formal [2 + 2]-cycloaddition of alkyne-tethered cyclohexadienones. Substrates with electron-rich alkynes and a less hindered quaternary carbon center afford tricyclic fused cyclobutenes through 1,7-enyne cyclization.… read more here.
Keywords: controlled intramolecular; electronic controlled; intramolecular cycloaddition; steric electronic ... See more keywords
Steric and Electronic Origins of Fluorescence in GFP and GFP-like Proteins.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c02946
Abstract: Fluorescent proteins have become routine tools for biological imaging. However, their nanosecond lifetimes on the excited state present computational hurdles to a full understanding of these photoactive proteins. In this work, we simulate approximately 0.5… read more here.
Keywords: fluorescent proteins; state; chromophore; steric electronic ... See more keywords
Synergistic Steric and Electronic Effects on the Photoredox Catalysis by a Multivariate Library of Titania Metal-Organic Frameworks.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c12147
Abstract: Metal-organic frameworks (MOFs) that display photoredox activity are attractive materials for sustainable photocatalysis. The ability to tune both their pore sizes and electronic structures based solely on the choice of the building blocks makes them… read more here.
Keywords: organic frameworks; steric electronic; metal organic; synergistic steric ... See more keywords
Steric and electronic effects of arsa-Buchwald ligands on Suzuki-Miyaura coupling reaction.
Sign Up to like & getrecommendations! Published in 2023 at "Dalton transactions"
DOI: 10.1039/d2dt04139a
Abstract: The Suzuki-Miyaura coupling (SMC) reaction is one of the most commonly used cross-coupling reactions. Bulky biaryldialkyl monophosphine ligands, i.e., Buchwald ligands, are beneficial for the SMC reaction. We recently developed a synthetic procedure for arsa-Buchwald… read more here.
Keywords: reaction; suzuki miyaura; steric electronic; buchwald ligands ... See more keywords
The Chemistry of Phenylimidotechnetium(V) Complexes with Isocyanides: Steric and Electronic Factors
Sign Up to like & getrecommendations! Published in 2022 at "Molecules"
DOI: 10.3390/molecules27238546
Abstract: Organometallic approaches are of ongoing interest for the development of novel functional 99mTc radiopharmaceuticals, while the basic organotechnetium chemistry seems frequently to be little explored. Thus, structural and reactivity studies with the long-lived isotope 99Tc… read more here.
Keywords: phenylimidotechnetium complexes; isocyanide; chemistry phenylimidotechnetium; chemistry ... See more keywords