113584-53-5

Basic information

• Product Name: ⁽⁹⁹⁾Tc(2,3,5,6-tetramethylbenzenethiolate)3(CH₃CN)2
• Synonyms: ⁽⁹⁹⁾Tc(2,3,5,6-tetramethylbenzenethiolate)3(CH₃CN)2
• CAS NO: 113584-53-5
• Molecular Weight: 676.943
• Mol File: 113584-53-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: ⁽⁹⁹⁾Tc(2,3,5,6-tetramethylbenzenethiolate)3(CH₃CN)2(CAS DataBase Reference)
• NIST Chemistry Reference: ⁽⁹⁹⁾Tc(2,3,5,6-tetramethylbenzenethiolate)3(CH₃CN)2(113584-53-5)
• EPA Substance Registry System: ⁽⁹⁹⁾Tc(2,3,5,6-tetramethylbenzenethiolate)3(CH₃CN)2(113584-53-5)

Safety Data

• Hazardous Substances Data: 113584-53-5(Hazardous Substances Data)

Upstream product

• 14786-84-6 2,3,5,6-tetramethylthiophenol 
• 75-05-8 acetonitrile 

Downstream Products

• 113584-55-7 ⁽⁹⁹⁾Tc(2,3,5,6-tetramethylbenzenethiolate)3(isopropylisocyanide)2 
• 113584-57-9 ⁽⁹⁹⁾Tc(2,3,5,6-tetramethylbenzenethiolate)3(CO)2 

Relevant articles and documents

Complexes of technetium(III) with sterically hindered arenethiolates and their interactions with small π-accepting molecules

A series of neutral Tc(III) compounds with sterically hindered arenethiolate ligands is reported. They contain a Tc(SAr)3 core (SAr = 2,3,5,6-tetramethylbenzenethiolate (tmbt) or 2,4,6-triisopropylbenzenethiolate (tibt)) capped by two π-accepting ligands (MeCN, i-PrNC, py, or CO) to form a trigonal bipyramid and are air stable, diamagnetic, 14-electron compounds. Although the acetonitrile ligands in the parent compound Tc(SAr)3(MeCN)2 do not self-exchange with solvent MeCN-d3, they are readily displaced by CO or i-PrNC to yield Tc(SAr)3(CO)2 or Tc(SAr)3(i-PrNC)2, respectively. One of the carbonyl ligands in Tc(S-Ar)3(CO)2 is labile, and this property has been exploited to prepare the monocarbonyl complexes Tc(SAr)3(CO)(MeCN) and Tc(SAr)3(CO)(py). Single-crystal X-ray structure determinations were carried out on Tc(SC10H13)3(CH3CN)2 (crystal data: monoclinic, a = 11.227 (1) A?, b = 15.784 (1) A?, c = 20.411 (1) A?, β= 105.36 (1)°, space group P21/n, Z = 4, final R = 0.066, Rw = 0.073), Tc(SC10H13)3(CO)(CH3CN) (monoclinic, a = 13.072 (2) A?, b = 15.153(2) A?, c = 17.149 (2) A?, β= 98.46 (1)°, space group P21/n, Z = 4, final R = 0.046, Rw = 0.059), and Tc(SC10H13)3(CO)(C5H5N) (triclinic, a = 10.773 (1) A?, b = 18.018 (1) A?, c = 9.034 (1) A?, α = 93.67 (1)°, β = 96.05 (1)°, γ = 87.08 (1)°, space group P1, Z = 2, final R = 0.044, Rw = 0.063). The coordination sphere is similar for all three structures, in which the sulfur atoms sit in the equatorial plane of a trigonal bipyramid and the π-accepting ligands occupy the axial positions. Two of the aryl rings are consistently on the same side of the plane defined by the sulfur atoms, while the other is on the opposite side. Spectroscopic data suggest that every compound in the series shares this conformation.