Zobrazeno 1 - 10 of 29 pro vyhledávání: '"Denis W. Clack"'
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An electron spin, ENDOR, and TRIPLE resonance and INDO study of fluorine-substituted N,N′-diphenyl-4,4′-bipyridylium radical cations
Autor: Abdullah Y. Obaid, Christopher C. Rowlands, Jeffrey C. Evans, Denis W. Clack
Publikováno v: J. Chem. Soc., Perkin Trans. 2. :1653-1657
E.s.r., ENDOR, and TRIPLE resonance results are reported for the radical cation of N,N′-diphenyl-4,4′-bipyridylium dichloride and a series of its fiuorophenyl analogues. The effect of ortho-, meta-, and para-substitution on the spin density distr
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fa9aca35110152698292f29b2fa52e7d
https://doi.org/10.1039/p29850001653
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3
Metall-π-Komplexe von Benzolderivaten, XII Hyperfeinstruktur und Linienbreiten in den ESR-Spektren methylierter und deuterierter Bis(η-benzol)chrom(I)-Kationen [1]
Autor: Reinhart Möckel, Christoph Elschenbroich, Ulrich Zenneck, Denis W. Clack
Publikováno v: Berichte der Bunsengesellschaft für physikalische Chemie. 83:1008-1018
Die vollstandige Reihe der Methyl-Substitutionsprodukte des Bis(η-benzol)chrom(I)+·-Radikalkations sowie ausgewahlte deuterierte Derivate desselben wurden in Losung und in glasartig erstarrtem Medium ESR-spektroskopisch untersucht. 1H-, 2D- und 53C
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9f63b48de63efdeff09497e0bea52ae7
https://doi.org/10.1002/bbpc.19790831011
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4
A kinetic study of the hydrolysis of acetonitrile co-ordinated to platinum, yielding platinblau
Autor: Denis W. Clack, M. Monshi
Publikováno v: Inorganica Chimica Acta. 22:261-264
Molecular orbital and crystal field calculations suggest that for iron phthalocyanine the 3A2gground state corresponds to the electronic configuration e2g b22g a21g, while for cobalt phthalocyanine the ground state is 2A1g-e4gb22ga11g. The MO results
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::abe5817fb833dc1b7f513f9c1c6e35f0
https://doi.org/10.1016/s0020-1693(00)90928-9
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5
Molecular orbital calculations on transition metal complexes. Part XVIII. π-Cyclopentadienyl-π-cyclobutadiene-cobalt
Autor: Denis W. Clack, Keith D. Warren
Publikováno v: Inorganica Chimica Acta. 27:105-108
INDO SCF molecular orbital calculations have been carried out for the title compound and indicate a diamagnetic ground state, in accordance with the results of nmr studies. The molecule is found to be a formally d6 system, in which the mainly d-orbit
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::49032107c74aa2d9da33bb8f73910562
https://doi.org/10.1016/s0020-1693(00)87268-0
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6
The distance dependence of the parameters of the angular overlap model
Autor: Chen Mingdan, Keith D. Warren, Denis W. Clack
Publikováno v: Journal of Molecular Structure: THEOCHEM. 153:323-333
Calculations are made of the distance dependence of the σ and π diatomic overlap integrals for various metal dx and fx fluoro and chloro systems, whence are derived the derivative quantities, ∂ρπ/∂R and ∂ρπ/∂R, which represent the varia
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7127d471c2a3a9e0f416a3561a7c87d9
https://doi.org/10.1016/0166-1280(87)80014-3
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7
Molecular orbital calculations on transition metal complexes
Autor: Keith D. Warren, Denis W. Clack
Publikováno v: Theoretica Chimica Acta. 46:313-323
INDO SCF MO calculations are reported for the complexes (C5H5)M(C7H7) (M = Ti, V and Cr), and for the corresponding V and Cr cations. The results correctly predict1A1 ground states for the V+ and the neutral Ti and Cr species, and for the neutral V a
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::df67b7650400227716fc1774f71f179f
https://doi.org/10.1007/bf00554516
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8
Correlation of the reactivity of coordinated π-hydrocarbons with electronic parameters
Autor: Denis W. Clack, L.A.P. Kane-Maguire
Publikováno v: Journal of Organometallic Chemistry. 174:199-204
Molecular orbital calculations have been made for the series of cations [(C 6 H 5 X)Fe(C 5 H 5 )] + (X = H, Me, OMe, COOMe). The results provide some support for recent proposals concerning the relationship between the site of nucleophilic attack and
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::80d14c590e7f5db886bfc603c2c887e8
https://doi.org/10.1016/s0022-328x(00)91505-5
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10
Molecular orbital calculations on transition metal complexes part VII
Autor: Denis W. Clack
Publikováno v: Theoretica Chimica Acta. 35:157-162
INDO SCF Molecular Orbital Calculations have been made for manganocene (MnCp2), its molecular cation (MnCp 2 + ) and the ferricenium ion FeCp 2 + . The computations yield a high spin 6 A 1g (e 2 2 a 1 1 e 1 2 ) ground state for MnCp2, contrary to tha
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2484657bc7d8f2a2e6ae6e4532716d58
https://doi.org/10.1007/bf00551403
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