13859-65-9

Basic information

• Product Name: TETRAKIS(TRIFLUOROPHOSPHINE)NICKEL (0)
• Synonyms: Nickel, tetrakis(phosphorous trifluoride)-, (T-4)-;Nickel, tetrakis(phosphorus trifluoride)-, (T-4)-;tetrakis(trifluorophosphine)nickel;Tetrakis-(trifluorophosphino)-nickel;Einecs 237-597-4;tetrakis(trifluorophosphane)nickel
• CAS NO: 13859-65-9
• Molecular Formula: F₁₂NiP₄
• Molecular Weight: 410.5692824
• EINECS: 237-597-4
• Mol File: 13859-65-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 70,7°C
• Flash Point: °C
• Appearance: /
• Density: 1,8 g/cm3
• Vapor Pressure: 40800mmHg at 25°C
• CAS DataBase Reference: TETRAKIS(TRIFLUOROPHOSPHINE)NICKEL (0)(CAS DataBase Reference)
• NIST Chemistry Reference: TETRAKIS(TRIFLUOROPHOSPHINE)NICKEL (0)(13859-65-9)
• EPA Substance Registry System: TETRAKIS(TRIFLUOROPHOSPHINE)NICKEL (0)(13859-65-9)

Safety Data

• Statements: 11-23/24/25
• Safety Statements: 16-36/37/39
• Hazardous Substances Data: 13859-65-9(Hazardous Substances Data)

Usage

General Description

Tetrakis(trifluorophosphine)nickel(0) is a chemical compound with the formula Ni(PF3)4. It is a coordination complex of nickel with four trifluorophosphine ligands. TETRAKIS(TRIFLUOROPHOSPHINE)NICKEL (0) is a commonly used catalyst in various organic synthesis reactions, including cross-coupling reactions and hydrogenation reactions. It is also used as a source of nickel in chemical vapor deposition processes and as a precursor in the synthesis of other nickel-containing compounds. Tetrakis(trifluorophosphine)nickel(0) is a stable solid at room temperature and is soluble in organic solvents, making it a versatile and widely used compound in the field of organometallic chemistry.

InChI:InChI=1/4F3P.Ni/c4*1-4(2)3;

Synthetic route

bis(η3-allyl)nickel(II) + trifluorophosphane (7783-55-3) → tetrakis(trifluorophosphine)nickel (13859-65-9)

Conditions	Yield
In neat (no solvent) 29% excess PF3 condensed onto Ni(allyl)2 and reagents allowed to react at 25°C for 1.5 h; react. mixt. fractionated, Ni(PF3)4 recovered in -80°C trap;	58%

tetracarbonyl nickel (13463-39-3, 71564-36-8) + trifluorophosphane (7783-55-3) → tetrakis(trifluorophosphine)nickel (13859-65-9)

Conditions	Yield
In neat (no solvent)
In neat (no solvent)
In neat (no solvent) High Pressure; react. of (Ni(CO)4) with PF3 at 150 °C under pressure;;
In neat (no solvent) High Pressure; react. of (Ni(CO)4) with PF3 at 150 °C under pressure;;
In melt passing PF3 into liq. (Ni(CO)4) for a longer period of time (carefully raising temp. to 71 °C);;	>99

tetracarbonyl nickel (13463-39-3, 71564-36-8) + trifluorophosphane (7783-55-3) → tetrakis(trifluorophosphine)nickel (13859-65-9) + NiCO(PF3)3 (14219-40-0) + Ni(trifluorophosphine)(CO)3 (14264-32-5) + Ni(CO)2(PF3)2 (13859-78-4)

Conditions	Yield
In neat (no solvent) at higher temp.;;
In neat (no solvent) at higher temp.;;
In neat (no solvent) at 0 - 71°C;;

nickelocene (1271-28-9) → tetrakis(trifluorophosphine)nickel (13859-65-9)

Conditions	Yield
With trifluorophosphane 100°C/30 at;
With trifluorophosphane 60°C/5 d; closed tube;
With PF3 100°C/30 at;
With PF3 60°C/5 d; closed tube;

nickel (7440-02-0) → tetrakis(trifluorophosphine)nickel (13859-65-9)

Conditions	Yield
With PF3 In methyl cyclohexane absence of air and moisture; condensing Ni-vapour into methylcyclohexanecontg. excess of PF3 and cycloheptatriene (-130°C); IR and mass spectroscopy;

nickel (7440-02-0) + trifluorophosphane (7783-55-3) → tetrakis(trifluorophosphine)nickel (13859-65-9)

Conditions	Yield
In neat (no solvent) High Pressure; treating Ni-powder (prepd. by thermal decompn. of Ni-oxalate in N2- or H2-stream) in rotary autoclave (Cu-impeller) with PF3 (350 atm) for 42 h at 100 °C;; distilling off PF3 at -100 °C, further react. with PF3 for 16 h at 100 °C and 180 atm;;
In neat (no solvent) treating Ni (prepd. by decompn. of (Ni(CO)4)) at 100 °C for several weeks with PF3;;
In neat (no solvent) treating Ni (prepd. by decompn. of (Ni(CO)4)) at 100 °C for several weeks with PF3;;
In neat (no solvent) High Pressure; treating Ni-powder (prepd. by thermal decompn. of Ni-oxalate in N2- or H2-stream) in rotary autoclave (Cu-impeller) with PF3 (350 atm) for 42 h at 100 °C;; distilling off PF3 at -100 °C, further react. with PF3 for 16 h at 100 °C and 180 atm;;

NiCO(PF3)3 (14219-40-0) + trifluorophosphane (7783-55-3) → tetrakis(trifluorophosphine)nickel (13859-65-9)

Conditions	Yield
In neat (no solvent) react. with PF3 above 70 °C;;

tetrakis(phosphorustrichloride)nickel(0) (36421-86-0) + trifluorophosphane (7783-55-3) → tetrakis(trifluorophosphine)nickel (13859-65-9)

Conditions	Yield
In neat (no solvent) byproducts: PCl3; heating (Ni(PCl3)4) with excess of PF3 in closed tube for 24 h on steam bath, cooling react. tube with liq. N2 after the react. is finished and distilling off PF3 at -115 °C (vac.), raising temp. to 0 °C;; sepg. upper layer of PCl3 from (Ni(PF3)4), fractional distillation in high vac. with addn. of SbF3 and traces of SbF5;;

tetrakis(phosphorustrichloride)nickel(0) (36421-86-0) + trifluorophosphane (7783-55-3) → tetrakis(trifluorophosphine)nickel (13859-65-9) + phosphorus trichloride (7719-12-2, 52843-90-0)

Conditions	Yield
In neat (no solvent) react. at >100°C and 50-100 atm in a pressure pipe;;
In neat (no solvent) react. at >100°C and 50-100 atm in a pressure pipe;;

tetrakis(tribromophosphine)nickel(0) (15689-05-1) + trifluorophosphane (7783-55-3) → tetrakis(trifluorophosphine)nickel (13859-65-9)

Conditions	Yield
In neat (no solvent) react. at >100°C and 50-100 atm in a pressure pipe;;
In neat (no solvent) react. at >100°C and 50-100 atm in a pressure pipe;;
In neat (no solvent) byproducts: PBr3; heating (Ni(PBr3)4) with excess of PF3 in closed tube for 24 h on steam bath, cooling react. tube with liq. N2 after the react. is finished and distilling off PF3 at -115 °C (vac.), raising temp. to 0 °C;; sepg. upper layer of PBr3 from (Ni(PF3)4), fractional distillation in high vac. with addn. of SbF3 and traces of SbF5;;

tetracarbonyl nickel (13463-39-3, 71564-36-8) + trifluorophosphane (7783-55-3) → tetrakis(trifluorophosphine)nickel (13859-65-9) + NiCO(PF3)3 (14219-40-0)

Conditions	Yield
In neat (no solvent) treating (Ni(CO)4) for 100 h with PF3 at 40 °C;;	A 0% B n/a

nickelocene (1271-28-9) + trifluorophosphane (7783-55-3) → tetrakis(trifluorophosphine)nickel (13859-65-9)

Conditions	Yield
In neat (no solvent) heating Ni(C5H5)2 and PF3 for several days in closed tube to 65 °C;;
In neat (no solvent) heating Ni(C5H5)2 and PF3 for several days in closed tube to 65 °C;;

nickel(II) iodide + trifluorophosphane (7783-55-3) → tetrakis(trifluorophosphine)nickel (13859-65-9)

Conditions	Yield
With copper In neat (no solvent) High Pressure; react. of NiI2 and Cu-powder with PF3 (110 atm) at 100 °C for 24 h;; condensing excess PF3 and (Ni(PF3)4) into Schlenk-tube, evapg. PF3 at -100 °C, distilling (Ni(PF3)4);;
With Cu In neat (no solvent) High Pressure; react. of NiI2 and Cu-powder with PF3 (110 atm) at 100 °C for 24 h;; condensing excess PF3 and (Ni(PF3)4) into Schlenk-tube, evapg. PF3 at -100 °C, distilling (Ni(PF3)4);;

tetrakis(phosphorustrichloride)nickel(0) (36421-86-0) + antimony(III) fluoride (7783-56-4) → tetrakis(trifluorophosphine)nickel (13859-65-9)

Conditions	Yield
antimony pentafluoride In neat (no solvent) react. of (Ni(PCl3)4) with SBF3 in presence of catalytic amt. of SbF5;;
antimony pentafluoride In neat (no solvent) react. of (Ni(PCl3)4) with SBF3 in presence of catalytic amt. of SbF5;;

NiCO(PF3)3 (14219-40-0) → tetrakis(trifluorophosphine)nickel (13859-65-9) + tetracarbonyl nickel (13463-39-3, 71564-36-8)

Conditions	Yield
In neat (no solvent)

potassium fluorosulphinate (14986-57-3) + tetrakis(phosphorustrichloride)nickel(0) (36421-86-0) → tetrakis(trifluorophosphine)nickel (13859-65-9)

Conditions	Yield
In further solvent(s) byproducts: SO2; react. of KSO2F with (Ni(PCl3)4) under exclusion of air and moisture in m-dichlorobenzene (cooling with ice), stirring for 30 min at ambient temp. and for 2 h at 90 °C;; collecting volatile react. products in cooled U-tube (filled with KSO2F), distilling into second U-tube after evapn. of SO2, distillation of (Ni(PF3)4) in micro-column at 760 torr under N2;;
In further solvent(s) byproducts: SO2; react. of KSO2F with (Ni(PCl3)4) under exclusion of air and moisture in m-dichlorobenzene (cooling with ice), stirring for 30 min at ambient temp. and for 2 h at 90 °C;; collecting volatile react. products in cooled U-tube (filled with KSO2F), distilling into second U-tube after evapn. of SO2, distillation of (Ni(PF3)4) in micro-column at 760 torr under N2;;

Ni(trifluorophosphine)(CO)3 (14264-32-5) → tetrakis(trifluorophosphine)nickel (13859-65-9) + tetracarbonyl nickel (13463-39-3, 71564-36-8)

Conditions	Yield
In neat (no solvent)

Ni(CO)2(PF3)2 (13859-78-4) → tetrakis(trifluorophosphine)nickel (13859-65-9) + tetracarbonyl nickel (13463-39-3, 71564-36-8)

Conditions	Yield
In neat (no solvent)

Ni(PF2Cl)4 (15024-22-3) → tetrakis(trifluorophosphine)nickel (13859-65-9)

Conditions	Yield
With L-Selectride In not given under inert atmosphere, other unidentified products;

tetrakis(trifluorophosphine)nickel (13859-65-9) + ammonium hydroxide → nickel(II) oxide (1313-99-1)

Conditions	Yield
With Dimethylglyoxime; nitric acid In ethanol; ammonia; water byproducts: NH4F; addn. of aq. NH4OH to Ni(PF3)4, cooling with liquid nitrogen, mixing for 15 min, addn. of HNO3, adjusting pH to 7-8 by addn. of NH4OH, heating to 80°C, pptg. by addn. of alcoholicammoniacal soln. of dimethylglyoxime; filtn., heating at 850°C;	92%

tetrakis(trifluorophosphine)nickel (13859-65-9) + phenylmagnesium chloride (100-59-4) → (difluorophenylphosphane)tris(trifluorophosphane)nickel(0) (79268-50-1)

Conditions	Yield
In diethyl ether byproducts: MgClF; ratio 1:1; 6 h, room temp., under N2; solvent evapd. in vac., the residue extracted with pentane, evapd. in vac.,;	68.4%

n-butyllithium (109-72-8, 29786-93-4) + tetrakis(trifluorophosphine)nickel (13859-65-9) → (butyldifluorophosphane)tris(trifluorophosphane)nickel(0) (79268-37-4)

Conditions	Yield
In diethyl ether byproducts: LiF; ratio 1:1; 6 h, room temp., under N2; solvent evapd. in vac., residue extracted with pentane, evapd. in vac.;	64%

tetrakis(trifluorophosphine)nickel (13859-65-9) + cyclohexylmagnesiumchloride (931-51-1) → (cyclohexyldifluorophosphane)tris(trifluorophosphane)nickel(0) (79268-51-2)

Conditions	Yield
In diethyl ether byproducts: MgClF; ratio 1:1; 6 h, room temp., under N2; solvent evapd. in vac., residue extracted with pentane, evapd. in vac.;	63.6%

Cyclohexyl isocyanide (931-53-3) + tetrakis(trifluorophosphine)nickel (13859-65-9) → cyclo-C6H11NCNi(PF3)3 + (cyclo-C6H11NC)2Ni(PF3)2

Conditions	Yield
In hexane byproducts: (cyclo-C6H11NC)(n); prepn. in n-hexane at 40-50°C;;	A 31.7% B n/a
In hexane byproducts: (cyclo-C6H11NC)(n); prepn. in n-hexane at 40-50°C;;	A 31.7% B n/a
In hexane byproducts: (CNC6H11-cyclo)(n); prepn. from Ni(PF3)4 and cyclo-C6H11NC in n-hexane at 40-50 °C;; main product is cyclo-C6H11NCNi(PF3)3;;
In hexane byproducts: (CNC6H11-cyclo)(n); prepn. from Ni(PF3)4 and cyclo-C6H11NC in n-hexane at 40-50 °C;; main product is cyclo-C6H11NCNi(PF3)3;;

tetrakis(trifluorophosphine)nickel (13859-65-9) + carbon monoxide (201230-82-2) → tetracarbonyl nickel (13463-39-3, 71564-36-8)

Conditions	Yield
In neat (no solvent) High Pressure; prepn. from Ni(PF3)4 and CO at high pressure;;
In neat (no solvent) High Pressure; prepn. from Ni(PF3)4 and CO at high pressure;;

tetrakis(trifluorophosphine)nickel (13859-65-9) + iodine (7553-56-2) → nickel(II) iodide

Conditions	Yield
react. with I2;;

tetrakis(trifluorophosphine)nickel (13859-65-9) + bromine (7726-95-6) → nickel dibromide

Conditions	Yield
byproducts: PF3Br2; react. with Br2;;

tetrakis(trifluorophosphine)nickel (13859-65-9) → NiPF3(1+) (115512-35-1)

Conditions	Yield
In gas electron impact; MS;

tetrakis(trifluorophosphine)nickel (13859-65-9) → nickel (7440-02-0)

Conditions	Yield
In neat (no solvent) decompn. at elevated temp.;;

tetrakis(trifluorophosphine)nickel (13859-65-9) → tetracarbonyl nickel (13463-39-3, 71564-36-8)

Conditions	Yield
With carbon monoxide In neat (no solvent) High Pressure; react. with CO at 100 °C and 350 atm;;
With CO In neat (no solvent) High Pressure; react. with CO at 100 °C and 350 atm;;

tetrakis(trifluorophosphine)nickel (13859-65-9) → nickel(II) sulphate

Conditions	Yield
With H2SO4 In sulfuric acid aq. H2SO4; react. with concd. H2SO4 at elevated temp.;;

triphenyl phosphite (101-02-0) + tetrakis(trifluorophosphine)nickel (13859-65-9) → Ni(P(OC6H5)3)3PF3 (17112-33-3)

Conditions	Yield
In benzene heating (Ni(PF3)4) and P(OC6H5)3 (molar ratio 1:4) for 10 h in boiling benzene, evapg. solvent and excess P(OC6H5)3 in vac.;; digesting residue with methanol, recrystn. from methanol;;
In benzene heating (Ni(PF3)4) and P(OC6H5)3 (molar ratio 1:4) for 10 h in boiling benzene, evapg. solvent and excess P(OC6H5)3 in vac.;; digesting residue with methanol, recrystn. from methanol;;

Upstream product

• 13859-78-4 Ni(CO)2(PF₃)2 
• 15024-22-3 Ni(PF₂Cl)4 
• 14264-32-5 Ni(trifluorophosphine)(CO)3 
• 14986-57-3 potassium fluorosulphinate 
• 36421-86-0 tetrakis(phosphorustrichloride)nickel⁽⁰⁾ 
• 14219-40-0 NiCO(PF₃)3 
• 7783-56-4 antimony(III) fluoride 
• 13462-90-3 nickel(II) iodide 
• 7783-55-3 trifluorophosphane 
• 1271-28-9 nickelocene 
• 13463-39-3 tetracarbonyl nickel 
• 15689-05-1 tetrakis(tribromophosphine)nickel⁽⁰⁾ 
• 7440-02-0 nickel 

Downstream Products

• 13462-90-3 nickel(II) iodide 
• 79268-51-2 (cyclohexyldifluorophosphane)tris(trifluorophosphane)nickel⁽⁰⁾ 
• 79268-50-1 (difluorophenylphosphane)tris(trifluorophosphane)nickel⁽⁰⁾ 
• 21986-26-5 Ni(PF₃)2{Sb(C₆H₅)3}2 
• 21986-25-4 Ni(PF₃)3{Sb(C₆H₅)3} 
• 14638-36-9 {Ni(P(C₆H₅)3)2(PF₃)2} 
• 14588-78-4 {Ni(P(C₆H₅)3)(PF₃)3} 
• 13463-39-3 tetracarbonyl nickel 
• 7440-02-0 nickel 
• 13462-88-9 nickel dibromide 
• 1313-99-1 nickel(II) oxide 

Relevant articles and documents

Bis(allyl)nickel and bis(pentadienyl)iron as precursors for the synthesis of Ni(PF3)4, Ni(PF2H)4, and Fe(PF3)5 [2]

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