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Density functional calculations on [Ti(η5-P3C2But2)2] gave estimates of structural parameters in excellent agreement with experiment and predicted a diamagnetic ground state as has been found. Back donation from the metal to the π LUMO of the ring
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https://ora.ox.ac.uk/objects/uuid:9de7b984-2087-4ab4-9a1e-3ab98abe44e1
https://ora.ox.ac.uk/objects/uuid:9de7b984-2087-4ab4-9a1e-3ab98abe44e1
Autor:
F. Geoffrey N. Cloke, Peter B. Hitchcock, Guy K. B. Clentsmith, Matthew D. Francis, John F. Nixon, John R. Hanks
Publikováno v:
Journal of Organometallic Chemistry. 693:2287-2292
Treatment of MI3 ( M = Sc, Y, Tm, and U) with three equivalents of KP3C2Bu2t in refluxing toluene led to the corresponding monomeric, formally eight coordinate, complexes [M(eta(5)-P3C2Bu2t)(2)(eta(2)-P3C2Bu2t)] in moderate yields. In the solid state
Autor:
Alexander Murso, John R. Hanks, Carsten Strohmann, Thomas Kopf, Peter B. Hitchcock, Martin Kaupp, Dietmar Stalke, F. Geoffrey N. Cloke
Publikováno v:
Organometallics. 21:5021-5028
The unusual trigonal prismatic structure of tris(butadiene)molybdenum, reported in 1975 by Skell, has been revisited by extensive quantum chemical calculations and by a low-temperature single-crystal X-ray diffraction study. While a trigonal prismati
Autor:
Jennifer C. Green, F. Geoffrey N. Cloke, Peter B. Hitchcock, John F. Nixon, John R. Hanks, Guy K. B. Clentsmith
Publikováno v:
Angewandte Chemie (International ed. in English). 42(9)
ScII or mixed oxidation state ScIII/ScI? Reduction of the homoleptic ScIII complex [Sc(P3C2tBu2)3] allows access to the subvalent [{Sc(P3C2tBu2])2}2] complex (see picture), in which the metal centers are formally bivalent. DFT calculations support fo
Publikováno v:
Chemical Communications. :1731-1732
The novel, fully structurally characterised, 14e-titanocene [Ti(η5-(P3C2But2)2] made by (i) cocondensation of titanium vapour with the phosphaalkyne ButCP (ii) reaction of ButCP with [Ti(η6-C6H5Me)2] at –78 °C or (iii) by heating TiCln with n(KP