140632-70-8

Basic information

• Product Name: {IrH₂(NCCH₃)(P(CH₃)2C₆H₅)3}⁽¹⁺⁾*BF₄^(1-)={IrH₂(NCCH₃)(P(CH₃)2C₆H₅)3}BF₄
• CAS NO: 140632-70-8
• Molecular Weight: 736.54
• Mol File: 140632-70-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: {IrH₂(NCCH₃)(P(CH₃)2C₆H₅)3}⁽¹⁺⁾*BF₄^(1-)={IrH₂(NCCH₃)(P(CH₃)2C₆H₅)3}BF₄(CAS DataBase Reference)
• NIST Chemistry Reference: {IrH₂(NCCH₃)(P(CH₃)2C₆H₅)3}⁽¹⁺⁾*BF₄^(1-)={IrH₂(NCCH₃)(P(CH₃)2C₆H₅)3}BF₄(140632-70-8)
• EPA Substance Registry System: {IrH₂(NCCH₃)(P(CH₃)2C₆H₅)3}⁽¹⁺⁾*BF₄^(1-)={IrH₂(NCCH₃)(P(CH₃)2C₆H₅)3}BF₄(140632-70-8)

Safety Data

• Hazardous Substances Data: 140632-70-8(Hazardous Substances Data)

Upstream product

• 67969-82-8 tetrafluoroboric acid diethyl ether 
• 12099-83-1 fac-IrH₃(PMe₂Ph)3 
• 75-05-8 acetonitrile 

Relevant articles and documents

Protonation of cationic hydride and alkyl complexes of Ir(III)

Reaction of HBF4*OEt2 with IrH2(MeCN)P3+ (1) (P = PMe2Ph) in the presence of MeCN gives rapid conversion to cis,mer-IrH(MeCN)2P32+ and H2.The corresponding reaction with cis,mer-IrMe2(MeCN)P3+ is much slower, but gives the corresponding product, cis,mer-IrMe(MeCN)2P32+.In the absence of added MeCN, HBF4*OEt2 transforms the dihydride cation 1 to equimolar cis,mer-IrH(MeCN)2P32+ and IrH4P3+; 0.5 mol of acid suffices to effect this reaction.In the absence of added MeCN, the protonation of the dimethyl cation leads to the ether complex mer-IrMe(Et2O)(MeCN)P32+ , which is subsequently scavenged by adventitious water to yield mer-IrMe(H2O)(MeCN)P32+.The crystal structure of this aquo complex, as its BF4 salt, shows a chain of BF4-/IrMe(H2O)(MeCN)P32+ units held together by two hydrogen bonds to each water molecule.Crystallographic data for (BF4)2 (at -169 deg C): a = 10.709(3) Angstroem, b = 15.645(4), c = 10.481(2), β = 106.49(1) deg with Z = 2 in space group P1.