13939-06-5

Basic information

• Product Name: Molybdenum hexacarbonyl
• Synonyms: MOLYBDENUM (VI) HEXACARBONYL;MOLYBDENUM HEXACARBONYL;MOLYBDENUM CARBONYL;(OC-6-11)-Molybdenumcarbonyl;(oc-6-11)-molybdenumcarbonyl(mo(co)6;Hexacarbonylmolybdenum(0);Mo(CO)6;Molybdenum carbonyl (Mo(CO)6)
• CAS NO: 13939-06-5
• Molecular Formula: C₆MoO₆
• Molecular Weight: 264
• EINECS: 237-713-3
• Product Categories: metal carbonyl complexes
• Mol File: 13939-06-5.mol
• Article Data: 64

Chemical Properties

• Melting Point: 150 °C (dec.)(lit.)
• Boiling Point: 156 °C(lit.)
• Appearance: white/crystal
• Density: 1.96 g/mL at 25 °C(lit.)
• Vapor Density: 9.1 (vs air)
• Vapor Pressure: 0.13 hPa (20 °C)
• Storage Temp.: Store at
• Solubility: Slightly soluble in tetrahydrofuran, diglyme and acetonitrile.
• Water Solubility: insoluble
• CAS DataBase Reference: Molybdenum hexacarbonyl(CAS DataBase Reference)
• NIST Chemistry Reference: Molybdenum hexacarbonyl(13939-06-5)
• EPA Substance Registry System: Molybdenum hexacarbonyl(13939-06-5)

Safety Data

• Hazard Codes: T+,Xi
• Statements: 26/27/28
• Safety Statements: 36/37/39-45-36/37-28A-22
• RIDADR: UN 3466 6.1/PG 2
• WGK Germany: 3
• TSCA: Yes
• HazardClass: 6.1
• PackingGroup: II
• Hazardous Substances Data: 13939-06-5(Hazardous Substances Data)

Usage

Chemical Properties

WHITE TO LIGHT YELLOW CRYSTALLINE POWDER

Uses

Different sources of media describe the Uses of 13939-06-5 differently. You can refer to the following data:
1. Plating molybdenum, i.e., molybdenum mir-rors; intermediate.
2. It is used as a catalyst in many organicsynthetic reactions.
3. Alumina supported molybdenum hexacarbonyl acts as an active catalyst. It is used to synthesize MoO and MoC nanowires by electron beam induced deposition.

General Description

Molybdenum hexacarbonyl is a colorless compound that sublimates and decomposes without melting at 150oC. It has an octahedral structure. Inherent sublimation of molybdenum hexacarbonyl permits it to perform as an active liquefaction catalyst. To form a catalyst it is adsorbed on dehydroxylated alumina forming subcarboyls.

Hazard

Decomposes above 150C to evolve carbonmonoxide.

Health Hazard

Molybdenum hexacarbonyl is a highly toxicsubstance. It is listed in Toxic SubstanceControl Act. Acute symptoms includeheadache, dizziness, nausea, vomiting, andfever. Because of its low vapor pressure,the risk of exposure of this compound,however, by inhalation is lower than thatfrom the volatile tetra- or pentacoordinatedmetal carbonyls. Ingestion of the compoundcan cause death. Absorption of its solutionthrough skin may cause severe poisoning,manifesting the same effects as those fromother routes of exposure.

Fire Hazard

It reacts violently with strong oxidizers. Contact with concentrated acids is expected to be violent. Its solutions are susceptible to detonate spontaneously (Owen 1950). Ethereal solutions of this compound can explode on extended storage (Bretherick 1995).

Purification Methods

Sublime it in a vacuum before use [Connor et al. J Chem Soc, Dalton Trans 511 1986]. TOXIC.

InChI:InChI=1/6CO.Mo/c6*1-2;/rC6MoO6/c8-1-7(2-9,3-10,4-11,5-12)6-13

Upstream product

• 201230-82-2 carbon monoxide 
• 31832-91-4 [Mo(η(5)-C5H5)(CO)2(N:CBu(t)2)] 
• 53109-70-9 molybdenum pentacarbonyl 
• 14024-00-1 vanadium hexacarbonyl 
• 563-43-9 ethylaluminum dichloride 
• 75-77-4 chloro-trimethyl-silane 
• 121719-12-8 tricarbonyl(cycloheptatriene)molybdenum⁽⁰⁾ 
• 103904-36-5 MoI₂(CO)3(THF)2 
• 15226-74-1 dicobalt octacarbonyl 
• 72868-86-1 phenylphosphine pentacarbonylmolybdenum⁽⁰⁾ 
• 622-29-7 N-Benzylidenemethylamine 

Downstream Products

• 73931-65-4 ethyl 4-(3-methylphenyl)-4-oxobutanoate 
• 79034-93-8 ethyl 4-oxo-4-(o-tolyl)butanoate 
• 73931-66-5 ethyl 4-(naphthalen-1-yl)-4-oxobutanoate 
• 15118-67-9 ethyl 3-(4-methoxybenzoyl)-propionate 
• 6942-61-6 ethyl 4-oxo-4-(p-tolyl)butanoate 
• 91479-17-3 4-oxo-6-phenyl-hex-5-enoic acid ethyl ester 
• 155722-95-5 ethyl 4-oxo-4-(4-(trifluoromethyl)phenyl)butanoate 
• 133559-44-1 Ethyl 4-(4-acetylphenyl)-4-oxobutanoate 
• 6270-17-3 ethyl 3-benzoylpropanoate 
• 83-33-0 inden-1-one 
• 17496-14-9 2,3-dihydro-2-methyl-1H-inden-1-one 
• 529-34-0 3,4-dihydronaphthalene-1(2H)-one 
• 1590-08-5 2-methyl-1-tetralone 

Relevant articles and documents

KOMPLEXKATALYSE. XVI. UEBER DIE REAKTION VON TRICHLORO-MONONITROSYL-MOLYBDAEN(II)- UND DICHLORO-DINITROSYL-MOLYBDAEN(0)-VERBINDUNGEN MIT EtAlCl2. NACHWEIS EINES Mo0Cl(NO)-KOMPLEXFRAGMENTS IN DEN KATALYSATORLOESUNGEN FUER DIE OLEFINMETATHESE

The formation of an unstable Mo0Cl(NO)-containing complex in the reaction of trichloronitrosylmolybdenum(II) or dichlorodinitrosylmolybdenum(0) complexes MoCl3(NO)(OPPh3)2 or MoCl2(NO)2(PPh3)2 with EtAlCl2 has been proved by trapping experiment

UEBERGANGSMETALLKOMPLEXE MIT SCHWEFELLIGANDEN. XXIX. REDOXGEKOPPELTE SCHWEFELLIGAND-TRANSFERREAKTIONEN ZWISCHEN EISEN- UND MOLYBDAEN-ZENTREN: SYNTHESE, STRUKTUR UND REAKTIVITAET VON 2> * 2H2O UND 2>(2-) (dttd(2-) = 2,3,8,9-DIBENZO-1,4,7,10-TETRATHIADE...

The reaction of (dttd(2-) = 2,3,8,9-Dibenzo-1,4,7,10-tetrathiadecan(-2)) with (nor = norbornadiene) leads to the Mo(I) complex 2> by way of a redox coupled ligand transfer.The reaction proceeds by transferring the dttd(2-) ligand from to yielding 2>(2-) which is subsequently oxidized by Fe(II) to give 2>.Reduction of the latter by LiBEt3H/CO regenerates 2>(2-).In 2> both Mo centers are connected in three different ways viz., by a Mo-Mo bond, thiolato S atoms of dttd(2-) and the clamp of the SC2H4S bridge.The latter preserves the binuclearity when the closed 2> is reduced to the open 2>(2-).The reaction of Li22> with NOPF6 yields 2>.The structures of 2>, (NMe4)22> and (for the sake of comparison) of (NMe4) have been determined from X-ray diffraction studies.

Activation parameters in flash photolysis studies of Mo(CO)6

Reported is a combined time-resolved optical (TRO) and infrared (TRIR) spectroscopic investigation of the flash photolysis of Mo(CO)6 in cyclohexane solution. TRIR studies using 308 nm excitation led to transient bleaching of the strong νCO band at 1987 cm-1 of Mo(CO)6 and appearance of new bands at 1931 and 1964 cm-1 attributed to Mo(CO)5(Sol). Using a high pressure/variable temperature flow cell, the kinetics of back reaction with CO (kCO) to regenerate the hexacarbonyl was studied over the PCO range 1-20 atm and at five temperatures. These data gave kCO=4.6±0. 2×106 M-1 s-1 (298 K) and the activation parameters ΔHCO?=32.6±3 kJ/mol and ΔSCO?=-7.3±11 J mol-1 K-1 from which an interchange mechanism was proposed. The analogous species seen in the TRO experiment displayed a transient absorbance at 420 nm and analogous kinetics properties although at lower PCO self-trapping with Mo(CO)6 (to give Mo2(CO)11) is a competitive process. The Mo(CO)5(Sol) transient could also be trapped by nPrBr (kRBr=5.3??0.7×10 7 M-1 s-1).

Molybdenum-Carbon Bond Dissoiation Energies in Mo(CO)6

The pressure dependence of the recombination rate constants for Mo(CO)n (n = 3, 4, and 5) with CO has been studied by time-resolved infrared laser absorption spectroscopy.These data, in conjuntion with an RRKM model for unimoleular decay of the activated

Further kinetics studies of intermediates formed by flash photolysis of Mo(CO)6

Kinetics studies of the behavior of Mo(CO)5(CH) in the presence of radical initiators were conducted in cyclohexane (CH) solution by laser flash photolysis with time-resolved infrared detection. Activation parameters were determined for reactio

PHOTOCHEMISTRY OF Mo(CO)6 IN THE GAS PHASE

We report a study of the photochemistry of Mo(CO)6 in the gas phase.Time-resolved infrared laser absorption spectroscopy is used to monitor the vibrational spectroscopy and lifetimes of the coordinatively unsaturated species formed upon photolyses at 351, 248, and 193 nm.The infrared spectra observed indicate that Mo(CO)5 has C4ν symmetry, Mo(CO)4 has C2ν symmetry, and Mo(CO)3 has C3ν symmetry.All three unsaturated species undergo rapid association reactions with Mo(CO)6 and with CO.Mo(CO)5 recombines with CO with a high-pressure limiting rate constant of 2.0(+/-0.2) x 1E6 Torr-1s-1.The corresponding rate constants for Mo(CO)4 and Mo(CO)3 are 7.5 (+/-1.5) x 1E6 and 1.8 (+/-1.0) x 1E7 torr-1s-1, respectively.

Chemistry of Polynuclear Metal Complexes with Bridging Carbene or Carbyne Ligands. Part 91. Steric Implications in the Reactions of the Complexes CR)(CO)2(η-C5H5)> (M=Mo or W, R=C6H4Me-4, C6H4OMe-2, or C6H3Me2-2,6) with the Compounds

The compounds and CR)(CO)2(η-C5H5)> (M=Mo or W) in Et2O at room temperature afford the trimetal complexes (M=Mo or W, R=C6H3Me2-2,6; M=Mo, R=C6H4OMe-2).In contrast, and CC6H4Me-4)(

Binuclear carbyne and ketenyl derivatives of the alkyl-bridged complexes [Mo2(η5-C5H5) 2(μ-CH2R)(μ-PCy2)(CO)2] (R = H, Ph)

The 30-electron benzylidyne complex [Mo2Cp2(μ-CPh) (μ-PCy2)(μ-CO)] (Cp = η5-C5H 5) could be conveniently prepared upon photolysis of the benzyl-bridged complex [Mo2Cp2(μ-CH2Ph) (μ-PCy2)(CO)2]. It reacted with CO to give the ketenyl complex [Mo2Cp2{μ-C(Ph)CO}(μ-PCy2)(CO) 2] (2.6101(2) A), which in turn could be selectively decarbonylated at 353 K to give the 32-electron benzylidyne derivative [Mo 2Cp2(μ-CPh)(μ-PCy2)(CO)2] (Mo-Mo = 2.666(1) A). Related methylidyne complexes could be obtained from the methyl-bridged complex [Mo2Cp2(μ-CH 3)(μ-PCy2)(CO)2] via its trinuclear derivative [Mo3Cp2(μ3-CH)(μ-PCy 2)(CO)7]. Thus, the carbonylation of the latter cluster gave the ketenyl complex [Mo2Cp2{μ-C(H)CO}(μ- PCy2)(CO)2], whereas its reaction with P(OMe)3 gave the substituted cluster [Mo3Cp2(μ3-CH) (μ-PCy2)(CO)6{P(OMe)3}], which in turn could be thermally degraded to give selectively the 30-electron methylidyne derivative [Mo2Cp2(μ-CH)(μ-PCy2)(μ-CO) ] (Mo-Mo = 2.467(1) A). DFT calculations on the phenylketenyl complex revealed that the metal-ligand interaction is intermediate between the extreme descriptions represented by the acylium (3-electron donor) and ketenyl (1-electron donor) canonical forms of this ligand.