136379-20-9

Basic information

• Product Name: {C₅H₅(CO)2Mn}2SC₆H₄NO₂⁽¹⁺⁾*PF₆^(1-)*0.5CH₂Cl₂ = {C₅H₅(CO)2Mn}2SC₆H₄NO₂PF₆*0.5CH₂Cl₂
• Synonyms: {C₅H₅(CO)2Mn}2SC₆H₄NO₂⁽¹⁺⁾*PF₆^(1-)*0.5CH₂Cl₂ = {C₅H₅(CO)2Mn}2SC₆H₄NO₂PF₆*0.5CH₂Cl₂
• CAS NO: 136379-20-9
• Molecular Weight: 693.707
• Mol File: 136379-20-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: {C₅H₅(CO)2Mn}2SC₆H₄NO₂⁽¹⁺⁾*PF₆^(1-)*0.5CH₂Cl₂ = {C₅H₅(CO)2Mn}2SC₆H₄NO₂PF₆*0.5CH₂Cl₂(CAS DataBase Reference)
• NIST Chemistry Reference: {C₅H₅(CO)2Mn}2SC₆H₄NO₂⁽¹⁺⁾*PF₆^(1-)*0.5CH₂Cl₂ = {C₅H₅(CO)2Mn}2SC₆H₄NO₂PF₆*0.5CH₂Cl₂(136379-20-9)
• EPA Substance Registry System: {C₅H₅(CO)2Mn}2SC₆H₄NO₂⁽¹⁺⁾*PF₆^(1-)*0.5CH₂Cl₂ = {C₅H₅(CO)2Mn}2SC₆H₄NO₂PF₆*0.5CH₂Cl₂(136379-20-9)

Safety Data

• Hazardous Substances Data: 136379-20-9(Hazardous Substances Data)

Upstream product

• 26042-63-7 silver(I) hexafluorophosphate 
• 136378-96-6 C₅H₅(CO)2MnSC₆H₄NO₂ 

Relevant articles and documents

Oxidative transformation of [RCp(CO)2MnSR]? Radicals into inidene compounds [RCp(CO)2Mn]2SR+

Stable radical compounds [RCp(CO)2MnSR]? (RCp = Cp, Cp′, Cp*; 1?) have been obtained by air oxidation of the primary products formed from RSH and RCp(CO)2Mn(THF) for a wide variety of alkyl and aryl substituents R. EPR spectra and bulk susceptibility measurements together with solution and solid-state UV/vis spectra show that compounds 1? are stable monomeric radicals. Preparative oxidation of 1? by AgPF6 yields the binuclear species [RCp(CO)2Mn]2SR+PF6 - ([2+] [PF6-]). The cations 2+ exist either as inidene -type compounds LnM..-S(R)..-MLn (LnM = RCp(CO)2Mn) with a trigonal-planar coordination at the bridging sulfur or in the ring-closed isomeric form [LnM-S(R)-MLn]+ with a metal-metal bond and a pyramidal sulfur. The two isomeric forms of 2+ are easily distinguished by their UV/vis spectra. Intense long-wavelength π-π* absorptions are characteristic of the inidene-type isomers. Cyclic voltammetry reveals reversible one-electron redox reactions for 1?as well as for 2? corresponding to 1- ? 1? ? 1+ and 2- ? 2? ? 2+, respectively. It is observed that the reduction of 1+ is about 500 mV less negative as compared to the reduction of 2+ throughout. This finding corresponds to the relative stability of the LUMO's of 1+ (olefinic type π-system) versus those of 2+ (allylic type π-system) as visualized by qualitative MO reasoning. X-ray structural data are presented for [RCp(CO)2MnSR]? (RCp = Cp, R = Ph, 1a?; RCp = Cp′, R = C6F5, 1f?) and [RCp(CO)2Mn]2SR+PF6 - (RCp = Cp, R = pNO2-C6H4, [2b+][PF6-]; RCp = Cp′, R = iPr, [2H+][PF6-]; RCp = Cp′, R = tBu, [2i+][PF6-]).