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Introduction of Modified Electronic Parameters - Searching for a Unified Ligand Properties Scale through the Electrophilicity Index Concept
European Journal of Inorganic Chemistry, 2007-09, Vol.2007 (26), p.4176-4189
Makedonas, Christodoulos
Mitsopoulou, Christiana A.
2007
Volltextzugriff (PDF)
Details
Autor(en) / Beteiligte
Makedonas, Christodoulos
Mitsopoulou, Christiana A.
Titel
Introduction of Modified Electronic Parameters - Searching for a Unified Ligand Properties Scale through the Electrophilicity Index Concept
Ist Teil von
European Journal of Inorganic Chemistry, 2007-09, Vol.2007 (26), p.4176-4189
Ort / Verlag
Weinheim: WILEY-VCH Verlag
Erscheinungsjahr
2007
Quelle
Wiley Online Library All Journals
Beschreibungen/Notizen
In order to quantify the contribution of mainly, but not only, diimine ligands to the electronic properties of the corresponding complexes, two novel indices, namely modified electronic parameters (ModEP) and electrophilicity, ω, are introduced and discussed in this report. First, we introduce the concept of ModEP, a novel scale relating to the electronic properties of diimine ligands. Mainly on the basis of well‐characterized M(diimine)(dithiolato) complexes (M = Pt, Pd, or Ni), we derive the contribution of the diimine ligand to the reduction potentials of the complexes, and incorporating its contribution to the main charge‐transfer band of the UV/Vis spectra, we obtain our ModEP values. The applicability of the introduced scale to several other classes of diimine compounds (W, Re, and Ru) is then tested. The performance of our scale in predicting the values of the reduction potentials and the position of the charge‐transfer bands is very satisfactory. With this approach, some interesting aspects of ligand coordination were revealed. Next, we employ the recently introduced electrophilicity index ω, in order to correlate our ModEP scale with various other empirical scales that are already known and extensively used. This permits us to unify most known scales, which were primarily derived for different types of ligands (e.g. ModEP for diimines, Tolman's for phosphanes). The proposed method of ω calculation (at the semiempirical AM1 level) avoids any experimental limitation and can be employed even for ligands that are not yet experimentally available, whereas its correlation to the known scales would immediately provide the properties of the compound. This supports the idea that the electrophilicity index could become a powerful tool in coordination and organometallic chemistry.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
Sprache
Englisch
Identifikatoren
ISSN: 1434-1948
eISSN: 1099-0682
DOI: 10.1002/ejic.200700185
Titel-ID: cdi_crossref_primary_10_1002_ejic_200700185
Format
–
Schlagworte
Charge-transfer bands
,
Diimine complexes
,
Electrophilicity index
,
Modified electronic parameters
,
Reduction potential
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