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Title: Über Oxidationszahl‐Obergrenzen in der Chemie

Journal Article · · Angewandte Chemie
 [1];  [2];  [2];  [3];  [3]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [5]; ORCiD logo [6]; ORCiD logo [7]; ORCiD logo [8]; ORCiD logo [2]
  1. Key Laboratory of Organic Optoelectronics &, Molecular Engineering of the Ministry of Education Department of Chemistry Tsinghua University Beijing 100084 China, Beijing Computer Science Research Center Haidian Beijing 100193 China
  2. Key Laboratory of Organic Optoelectronics &, Molecular Engineering of the Ministry of Education Department of Chemistry Tsinghua University Beijing 100084 China
  3. Chemical Theory Center Department of Chemistry, and Minnesota Supercomputing Institute University of Minnesota Minneapolis MN 55455-0431 USA
  4. Chemical Sciences Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA
  5. Centro de Ciências e Tecnologias Nucleares Instituto Superior Técnico Universidade de Lisboa 2695-066 Bobadela LRS Portugal
  6. Department of Chemistry Fudan University Shanghai 200433 China
  7. Anorganische Chemie Institut für Chemie und Biochemie Freie Universität Berlin 14195 Berlin Deutschland
  8. Key Laboratory of Organic Optoelectronics &, Molecular Engineering of the Ministry of Education Department of Chemistry Tsinghua University Beijing 100084 China, Physical and Theoretical Chemistry Lab Universität Siegen 57068 Siegen Deutschland
+ Show Author Affiliations

Abstract Der Begriff Oxidationszahl ( OS ) ist auf der Basis des Lewis‐Elektronenpaar‐Bildes definiert, wobei Bindungselektronen dem jeweils elektronegativeren Element zugeordnet werden. Der Begriff ist hilfreich zur “Buchhaltung” der Elektronen, zur Vorhersage von chemischen Trends und zur Planung von Synthesewegen. Experimentelle und quantenchemische Befunde legen eine obere Grenze von etwa +8 für die OS in stabilen (neutralen) chemischen Substanzen unter normalen Bedingungen nahe. OS =+9 wurde für das isolierte [IrO 4 ] + ‐Kation in der Gasphase beobachtet. Vorhergesagte OS =+10 für das isolierte [PtO 4 ] 2+ ‐Kation wird hier theoretisch nur für tiefe Temperaturen bestätigt, konnte aber noch nicht experimentell verifiziert werden. Verbindungen mit hoher OS tendieren zur spontanen Reduktion des zentralen Metallatoms unter Oxidation der Liganden, etwa von O −2 unter Bildung von . O −1 und O‐O‐Bindungen, wobei nicht‐Lewis‐konforme Strukturen gebildet werden können.

Sponsoring Organization:
USDOE
Grant/Contract Number:
SC0015997
OSTI ID:
1422007
Journal Information:
Angewandte Chemie, Journal Name: Angewandte Chemie Journal Issue: 12 Vol. 130; ISSN 0044-8249
Publisher:
Wiley Blackwell (John Wiley & Sons)Copyright Statement
Country of Publication:
Germany
Language:
English

References (33)

Formation and Characterization of the Iridium Tetroxide Molecule with Iridium in the Oxidation State +VIII journal October 2009
Die Oxidationsstufe, ein Dauerbrenner! journal March 2015
Die formalen Oxidationszahlen des Iridiums reichen nun von −III bis +IX journal December 2014
Oxidation State 10 Exists journal June 2016
Cesium's Off‐the‐Map Valence Orbital journal July 2017
Formation and Characterization of the Iridium Tetroxide Molecule with Iridium in the Oxidation State +VIII journal October 2009
Oxidation State, A Long-Standing Issue! journal March 2015
The Formal Oxidation States of Iridium Now Run from −III to +IX journal December 2014
Oxidation State 10 Exists journal June 2016
Cesium's Off-the-Map Valence Orbital journal July 2017
On the Extreme Oxidation States of Iridium journal May 2015
How Far Can We Go? Quantum-Chemical Investigations of Oxidation State +IX journal February 2010
Zur Kristallstruktur von O2+MF6? (M = Sb, Ru, Pt, Au) journal June 1996
A Facile Synthesis of Pure O 2 PtF 6 : A Facile Synthesis of Pure O journal August 2015
Is rhodium tetroxide in the formal oxidation state VIII stable? a quantum chemical and matrix isolation investigation of rhodium oxides journal March 2011
Hafnium in peralkaline and peraluminous boro-aluminosilicate glass and glass sub-components: a solubility study journal October 2003
Density-functional investigation of bonding in tetrahedral MO4 anions journal August 2001
From Widely Accepted Concepts in Coordination Chemistry to Inverted Ligand Fields journal June 2016
On the Highest Oxidation States of Metal Elements in MO 4 Molecules (M = Fe, Ru, Os, Hs, Sm, and Pu) journal April 2016
How Much Can Density Functional Approximations (DFA) Fail? The Extreme Case of the FeO 4 Species journal March 2016
Specific Chemistry of the Anions: [TaOF 5 ] 2– , [TaF 6 ] − , and [TaF 7 ] 2– journal January 2014
The Origin of the Oxidation-State Concept journal September 2007
Solid-State 129 Xe and 131 Xe NMR Study of the Perxenate Anion XeO 6 4- journal April 2007
Principal Components of Ionicity journal August 1994
PLATINUM HEXAFLUORIDE 1 journal November 1957
Structures of Platinum Oxide Clusters in the Gas Phase journal August 2012
Infrared Spectra and Density Functional Calculations of MO 2 , MO 3 , (O 2 )MO 2 , MO 4 , MO 2 - (M = Re, Ru, Os) and ReO 3 - , ReO 4 - in Solid Neon and Argon † journal April 2000
Identification of an iridium-containing compound with a formal oxidation state of IX journal October 2014
Caesium in high oxidation states and as a p-block element journal September 2013
Beyond state I journal September 2013
”Developing paradigms of chemical bonding: adaptive natural density partitioning journal January 2008
Analysis of nondynamical correlation in the metal–ligand bond. Pauli repulsion and orbital localization in MnO − 4 journal September 1990
Electronic structure of oxygen-related defects in PbWO 4 and CaMoO 4 crystals journal December 2001

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