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Titolo:
Coordination chemistry of manganese-salen complexes studied by electrospray tandem mass spectrometry: the significance of axial ligands
Autore:
Plattner, DA; Feichtinger, D; El-Bahraoui, J; Wiest, O;
Indirizzi:
ETH Zurich, Organ Chem Lab, CH-8092 Zurich, Switzerland ETH Zurich Zurich Switzerland CH-8092 m Lab, CH-8092 Zurich, Switzerland Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA Univ Notre Dame Notre Dame IN USA 46556 Biochem, Notre Dame, IN 46556 USA
Titolo Testata:
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
, volume: 196, anno: 2000,
pagine: 351 - 362
SICI:
1387-3806(20000121)196:<351:CCOMCS>2.0.ZU;2-4
Fonte:
ISI
Lingua:
ENG
Soggetto:
DENSITY-FUNCTIONAL THEORY; C-H ACTIVATION; HYDROCARBON FUNCTIONALIZATION; OXOCHROMIUM(V) CATIONS; TRANSITION-METALS; PRACTICAL TOOL; BASIS-SETS; GAS-PHASE; EPOXIDATION; MECHANISM;
Keywords:
electrospray ionization; epoxidation catalysts; salen complexes;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
53
Recensione:
Indirizzi per estratti:
Indirizzo: Plattner, DA ETH Zurich, Organ Chem Lab, CH-8092 Zurich, Switzerland ETH Zurich Zurich Switzerland CH-8092 2 Zurich, Switzerland
Citazione:
D.A. Plattner et al., "Coordination chemistry of manganese-salen complexes studied by electrospray tandem mass spectrometry: the significance of axial ligands", INT J MASS, 196, 2000, pp. 351-362

Abstract

Tandem mass spectrometric techniques in combination with high-level quantum chemical calculations have been employed to study the coordination chemistry of manganese- and oxomanganes-salen complexes in the gas phase. Electrospray ionization was used to transfer the ionic complexes from solution to the gas phase. The formation of five- versus six-coordinate manganese(III) species was subsequently probed by ion-molecule reactions with neutral ligands, e.g. acetonitrile, pyridine, alcohols, etc. The reactivity of the so far elusive oxomanganese(v)-salen complexes, readily accessible by fragmentation of mu-axomanganese(IV) dimers, and their coordination chemistry was studied in the same way. Hybrid Hartree-Fock/density functional calculations have been performed to assess the geometries and energies of the triplet and quintet states of the manganese complexes in question. The effects of axial ligation on the geometry and reactivity of the oxo complex were found tobe quite drastic. Finally, the epoxidation of olefins by oxomanganese(V) salen was studied intramolecularly by tethering the substrate to the metal center. No indication for precoordination of the substrate as prerequisite for oxidation was found. (C) 2000 Elsevier Science B,V.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 04/12/20 alle ore 16:27:19