594-09-2Relevant articles and documents
Shore, S. G.,Crist, J. L.,Lockman, B.,Long, J. R.,Coon, A. D.
, (1972)
Tetrakis(trimethylphosphine)nickel(0)
Avent, Anthony G.,Cloke, F. Geoffrey N.,Day, Jeremy P.,Seddon, Elaine A.,Seddon, Kenneth R.,Smedley, Stephen M.
, p. 535 - 542 (1988)
The title complex, , has been prepared by metal-vapour synthesis, and characterized by 1H, 13C, 31P, and 61Ni NMR spectroscopy and ultraviolet photoelectron (PE) spectroscopy.The 61Ni NMR spectrum exhibits a quintet 1J(NiP) 285 Hz>, and the t2 and e ionization energies occur at 5.60 and 6.52 eV, the lowest yet observed for a nickel(0) complex.
Reactions of a tungsten alkylidyne complex with mono-dentate phosphines: Thermodynamic and theoretical studies
Chen, Ping,Dougan, Brenda A.,Zhang, Xinhao,Wu, Yun-Dong,Xue, Zi-Ling
, p. 30 - 38 (2013)
Addition of mono-dentate phosphines PMe3 and PMe2Ph to the W(VI) alkyl alkylidyne complex W(CH2SiMe3) 3(≡CSiMe3) (1) is reversible, each reaching equilibrium. Thermodynamic studies of the equilibria have been conducted, giving ΔH° = -10.0(1.1) kcal/mol and ΔS° = -23(4) eu for the addition of PMe3 and ΔH°′ = -3.0 (0.7) kcal mol -1 and ΔS°′ = -6(3) eu for the addition of PMe 2Ph, indicating that the addition is exothermic. The experimental measurement allows a benchmarking study to select a proper DFT method to describe the current system. Of the DFT methods tested, M06 has demonstrated superior performance in calculating binding energy of a bimolecular reaction. The calculated reaction pathways show that W(CH2SiMe 3)3(≡CSiMe3) (1) reacts with PR3 to form W(CH2SiMe3)3(≡CSiMe3)(PR 3) (PR3 = PMe3, 3a; PMe2Ph, 3b), and the adduct then undergoes α-H migration to form W(CH2SiMe 3)2(=CHSiMe3)2(PR3) (4a, 4b). 4a and 4b are found to be thermodynamically and kinetically stable intermediates. The calculations also suggest a pathway in the formation of the alkyl alkylidene alkylidyne complex W(CH2SiMe3)- (=CHSiMe3)(≡CSiMe3)(PR3)2 (5a).
Thomas,Eriks
, p. 59,62 (1967)
Reactivity of (Pyridine-Diimine)Fe Alkyl Complexes with Carbon Dioxide
Lau, Ka-Cheong,Jordan, Richard F.
, p. 3658 - 3666 (2016)
The reaction of CO2 with (PDI)FeMe (1), (PDI)Fe(Me)PMe3 (1-PMe3) and [(PDI)FeMe][BPh4] (2, PDI = 2,6-(2,6-iPr2-C6H3-N=CMe)2-C5H3N) gen
Carmona, E.,Sanchez, L.
, p. 163 - 166 (1988)