Mechanism of Coupling of Methylidene to Ethylene Ligands in Dimetallic Assemblies; Computational Investigation of a Model for a Key Step in Catalytic C1 Chemistry.
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DOI: 10.1021/jacs.2c08886
Abstract: Methylidene complexes often couple to ethylene complexes, but the mechanistic insight is scant. The path by which two cations [(η5-C5H5)Re(NO)(PPh3)(═CH2)]+ (5+) transform (CH2Cl2/acetonitrile) to [(η5-C5H5)Re(NO)(PPh3)(H2C═CH2)]+ (6+) and [(η5-C5H5)Re(NO)(PPh3)(NCCH3)]+ is studied by density functional theory. Experiments… read more here.
Keywords: h2c ch2; chemistry; sre; ch2 ... See more keywords
Quadratic and cubic hyperpolarizabilities of nitro-phenyl/-naphthalenyl/-anthracenyl alkynyl complexes.
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DOI: 10.1039/c8dt00155c
Abstract: 1-Nitronaphthalenyl-4-alkynyl and 9-nitroanthracenyl-10-alkynyl complexes [M](C[triple bond, length as m-dash]C-4-C10H6-1-NO2) ([M] = trans-[RuCl(dppe)2] (6b), trans-[RuCl(dppm)2] (7b), Ru(PPh3)2(η5-C5H5) (8b), Ni(PPh3)(η5-C5H5) (9b), Au(PPh3) (10b)) and [M](C[triple bond, length as m-dash]C-10-C14H8-9-NO2) ([M] = trans-[RuCl(dppe)2] (6c), trans-[RuCl(dppm)2] (7c), Ru(PPh3)2(η5-C5H5) (8c),… read more here.
Keywords: c5h5 pph3; phenyl naphthalenyl; pph3 c5h5; alkynyl ... See more keywords
Syntheses, rearrangements, and structural analyses of unsaturated nitrogen donor ligands derived from diphenyldiazomethane and the chiral rhenium Lewis acid [(η5-C5H5)Re(NO)(PPh3)].
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DOI: 10.1039/d2dt00890d
Abstract: Diphenyldiazomethane and a labile chlorobenzene complex of [(η5-C5H5)Re(NO)(PPh3)]+ BF4- react to give the η1 adduct [(η5-C5H5)Re(NO)(PPh3)(NNCPh2)]+ BF4- (73%). When this is conducted in the presence of copper powder, a 3-phenyl-1H-indazole complex derived from carbon-hydrogen bond… read more here.
Keywords: c5h5; chch; rhenium; c5h5 pph3 ... See more keywords