Zobrazeno 1 - 10
of 56
pro vyhledávání: '"Lg Vanquickenborne"'
Publikováno v:
Scopus-Elsevier
ispartof: Chemical reviews vol:100 issue:2 pages:787-806 ispartof: location:United States status: published
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d542c8fd630643c1d91172b8850101cb
https://doi.org/10.1021/cr960129k
https://doi.org/10.1021/cr960129k
Publikováno v:
The Journal of Physical Chemistry. 98:1117-1120
The stability of the CrF 6 2- dianion toward dissociation to CrF 5 + +F - was studied by calculating the potential energy surface both at the RHF and at the MCPF correlated level of approximation. For the CrF 5 - molecule the trigonal bipyramid was c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3e8455378ae9bbdbe45dad0e344da497
https://doi.org/10.1021/j100055a012
https://doi.org/10.1021/j100055a012
Publikováno v:
ChemInform. 23
In this work, we report the first ab initio study of the photochemistry of some chromium(III) ammine complexes: Cr(NH 3 ) 5 F 2+ , trans-Cr(NH 3 ) 4 X 2 + (X=F - ,Cl - ), and cis-Cr(NH 3 ) 4 F 2 +
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b2758a8bfaec26408ddf9cd6bc22188b
https://doi.org/10.1002/chin.199222022
https://doi.org/10.1002/chin.199222022
Publikováno v:
ChemInform. 31
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7b38ce052470cdba3eba34d5ec6fb208
https://doi.org/10.1002/chin.200017245
https://doi.org/10.1002/chin.200017245
Publikováno v:
Chemische Berichte. 125:923-927
Ab initio MO calculations at the MP4/6–31G** level show that both fluorine and chlorine atoms exert a strong stabilizing effect on the three-membered ring 1H-phosphirene relative to its isomers. While unsubstituted 1H-phosphirene (12H) is the least
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::859edbb4037c82f6bcc8e25e097903b4
https://doi.org/10.1002/cber.19921250425
https://doi.org/10.1002/cber.19921250425
Publikováno v:
Inorganica Chimica Acta. 192:95-105
The single-crystal EPR spectrum of the tetraimine macrocyclic Cu(II) complex [Cu(C10H20N8)Cl]Cl has been measured, both in the lattice of the pure compound and of the isomorphous Ni(II) compound. The crystal structure of the Cu(II) complex has also b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::93338dbfbffca736e95df7119eed3eb2
https://doi.org/10.1016/s0020-1693(00)83178-3
https://doi.org/10.1016/s0020-1693(00)83178-3
Publikováno v:
Inorganic Chemistry. 31:539-547
In this work, we report the first ab initio study of the photochemistry of some chromium(III) ammine complexes: Cr(NH 3 ) 5 F 2+ , trans-Cr(NH 3 ) 4 X 2 + (X=F - ,Cl - ), and cis-Cr(NH 3 ) 4 F 2 +
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3a9358c2bdce22c933629b9883230bc9
https://doi.org/10.1021/ic00030a004
https://doi.org/10.1021/ic00030a004
Autor:
Lg Vanquickenborne, Kristine Pierloot
Publikováno v:
The Journal of Chemical Physics. 93:4154-4163
The ground and ligand field excited states of CrF3−6 have been studied, using different Gaussian basis sets of atomic natural orbitals. Each state was first optimized separately in a complete active space self‐consistent field (CASSCF) calculatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dd495f153417728aec5efdcd3b0b371f
https://doi.org/10.1063/1.458748
https://doi.org/10.1063/1.458748
Publikováno v:
The Journal of Physical Chemistry. 94:105-113
Etude du spectre RPE sur monocristal du complexe de Co(II) dilue dans le complexe correspondant de Ni(II), [Ni(C 10 H 20 N 8 )]Cl 2 , dont on determine la structure cristalline par diffraction de rayons X. Observation d'interactions superhyperfines a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fd5a534345df63113474ffbc1b7998b7
https://doi.org/10.1021/j100364a016
https://doi.org/10.1021/j100364a016
Publikováno v:
Inorganic Chemistry. 33:3188-3190
The single-crystal EPR and powder laser EPR spectra of the tetraimine Co(II) complex [Co(C10H20N8)-Cl(H2O)]Cl.H2O have been measured. It is shown that the axial coordination partially quenches the anisotropy of the phase-coupling ligand field term.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b15bad64b1f43bb5c6383a057854a0b2
https://doi.org/10.1021/ic00092a029
https://doi.org/10.1021/ic00092a029