604783-63-3

Basic information

• Product Name: (hydrotris(1-pyrazolyl)borate)Os(NH₂-2-C₆H₄(t-Bu))Cl₂
• Synonyms: (hydrotris(1-pyrazolyl)borate)Os(NH₂-2-C₆H₄(t-Bu))Cl₂
• CAS NO: 604783-63-3
• Molecular Weight: 623.371
• Mol File: 604783-63-3.mol

Chemical Properties

• CAS DataBase Reference: (hydrotris(1-pyrazolyl)borate)Os(NH₂-2-C₆H₄(t-Bu))Cl₂(CAS DataBase Reference)
• NIST Chemistry Reference: (hydrotris(1-pyrazolyl)borate)Os(NH₂-2-C₆H₄(t-Bu))Cl₂(604783-63-3)
• EPA Substance Registry System: (hydrotris(1-pyrazolyl)borate)Os(NH₂-2-C₆H₄(t-Bu))Cl₂(604783-63-3)

Safety Data

• Hazardous Substances Data: 604783-63-3(Hazardous Substances Data)

Upstream product

• 6310-21-0 2-(1,1-dimethylethyl)-benzenamine 

Relevant articles and documents

Slow hydrogen atom self-exchange between Os(IV) anilide and Os(III) aniline complexes: Relationships with electron and proton transfer self-exchange

Abstract: Hydrogen atom, proton and electron transfer self-exchange and cross-reaction rates have been determined for reactions of Os(IV) and Os(III) aniline and anilide complexes. Addition of an H-atom to the Os(IV) anilide TpOs(NHPh)Cl2 (OsIVNHPh) TpOs(NHPh)Cl2 (Os IVNHPh) gives the Os(III) aniline complex TpOs(NH 2Ph)Cl2 (OsIIINH2Ph) with a new 66 kcal mol-1 N-H bond. Concerted transfer of H* between Os IVNHPh and OsIIINH2Ph is remarkably slow in MeCN-d3, with kexH* = (3 ± 2) x 10 -3 M-1 s-1 at 298 K. This hydrogen atom transfer (HAT) reaction could also be termed proton-coupled electron transfer (PCET). Related to this HAT process are two proton transfer (PT) and two electron transfer (ET) self-exchange reactions, for instance, the ET reactions OsIVNHPh + OsIIINHPh- and OsIVNH2Ph+ + Os IIINH2Ph. All four of these PT and ET reactions are much faster (k = 103-105 M-1 s-1) than HAT self-exchange. This is the first system where all five relevant self-exchange rates related to an HAT or PCET reaction have been measured. The slowness of concerted transfer of H* between OsIVNHPh and Os IIINH2Ph is suggested to result not from a large intrinsic barrier but rather from a large work term for formation of the precursor complex to H* transfer and/or from significantly nonadiabatic reaction dynamics. The energetics for precursor complex formation is related to the strength of the hydrogen bond between reactants. To probe this effect further, HAT cross-reactions have been performed with sterically hindered aniline/anilide complexes and nitroxyl radical species. Positioning steric bulk near the active site retards both H* and H+ transfer. Net H* transfer is catalyzed by trace acids and bases in both self-exchange and cross reactions, by stepwise mechanisms utilizing the fast ET and PT reactions.