Bis(«eta»⁵-cyclopentadienyl)tungsten dihydride

• Formula: C₁₀H₁₂W
• Molecular weight: 316.04
• CAS Registry Number: 1271-33-6
• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
• Options:
  • Switch to SI units

Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: José A. Martinho Simões

Quantity	Value	Units	Method	Reference	Comment
fH°gas	79.95 ± 0.79	kcal/mol	Review	Martinho Simões
fH°gas	74.2 ± 2.1	kcal/mol	Review	Martinho Simões	The enthalpy of formation relies on -15.1 ± 1.7 kcal/mol for the enthalpy of formation of W(Cp)2(Cl)2(cr)

Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: José A. Martinho Simões

Quantity	Value	Units	Method	Reference	Comment
fH°solid	59.85 ± 0.69	kcal/mol	Review	Martinho Simões
fH°solid	54.1 ± 2.1	kcal/mol	Review	Martinho Simões	The enthalpy of formation relies on -15.1 ± 1.7 kcal/mol for the enthalpy of formation of W(Cp)2(Cl)2(cr)
Quantity	Value	Units	Method	Reference	Comment
cH°solid	-1611.7 ± 0.60	kcal/mol	CC-SB	Tel'noi, Rabinovich, et al., 1976	Please also see Tel'noi and Rabinovich, 1977.

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
MS - José A. Martinho Simões
AC - William E. Acree, Jr., James S. Chickos

Quantity	Value	Units	Method	Reference	Comment
subH°	20.1 ± 0.38	kcal/mol	CC-SB	Dias, Diogo, et al., 1990	Another value for the enthalpy of sublimation has been reported: 23.0 ± 0.50 kcal/mol Tel'noi, Rabinovich, et al., 1976; MS
subH°	23.0 ± 0.50	kcal/mol	N/A	Pilcher and Skinner, 1983	See also Calado, Dias, et al., 1979 and Tel'noi, Rabinovich, et al., 1976.; AC

Enthalpy of sublimation

subH (kcal/mol)	Temperature (K)	Method	Reference	Comment
20.2 ± 0.38	313. - 323.	ME	Dias, Diogo, et al., 1990, 2	AC

Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: José A. Martinho Simões

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C₁₀H₁₂W (cr) + 2 (cr) = C₁₀H₁₀I₂W (cr) + 2 (g)

By formula: C₁₀H₁₂W (cr) + 2I₂ (cr) = C₁₀H₁₀I₂W (cr) + 2HI (g)

Quantity	Value	Units	Method	Reference	Comment
rH°	-24.9 ± 1.3	kcal/mol	RSC	Calado, Dias, et al., 1979, 2

C₁₀H₁₂W (cr) + 2 (cr) = C₁₀H₁₀Br₂W (cr) + 2 (l)

By formula: C₁₀H₁₂W (cr) + 2CBr₄ (cr) = C₁₀H₁₀Br₂W (cr) + 2CHBr₃ (l)

Quantity	Value	Units	Method	Reference	Comment
rH°	-72.30 ± 0.53	kcal/mol	RSC	Calado, Dias, et al., 1980

C₁₀H₁₂W (cr) + 2 (l) = C₁₀H₁₀Cl₂W (cr) + 2 (l)

By formula: C₁₀H₁₂W (cr) + 2CCl₄ (l) = C₁₀H₁₀Cl₂W (cr) + 2CHCl₃ (l)

Quantity	Value	Units	Method	Reference	Comment
rH°	-71.96 ± 0.81	kcal/mol	RSC	Calado, Dias, et al., 1979, 3

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Martinho Simões
Martinho Simões, J.A., Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]

Tel'noi, Rabinovich, et al., 1976
Tel'noi, V.I.; Rabinovich, I.B.; Kir'yanov, K.V.; Smirnov, A.S., Dokl. Akad. Nauk SSSR, 1976, 231, 733. [all data]

Tel'noi and Rabinovich, 1977
Tel'noi, V.I.; Rabinovich, I.B., Russ. Chem. Rev., 1977, 46, 689. [all data]

Dias, Diogo, et al., 1990
Dias, A.R.; Diogo, H.P.; Minas da Piedade, M.E.; Martinho Simões, J.A.; Carson, A.S.; Jamea, E.H., J. Organometal. Chem., 1990, 391, 361. [all data]

Pilcher and Skinner, 1983
Pilcher, G.; Skinner, H.A., Thermochemistry of organometallic compounds, 1983, 43-90, https://doi.org/10.1002/9780470771686.ch2 . [all data]

Calado, Dias, et al., 1979
Calado, J.C.G.; Dias, A.R.; Simo~es, J.A. Martinho; da Silva, M.A.V. Ribeiro, Bond-enthalpy contributions in M(«eta»-C5H5)2L2 complexes (M = Mo, W;L = H, CH3, Cl), Journal of Organometallic Chemistry, 1979, 174, 1, 77-80, https://doi.org/10.1016/S0022-328X(00)96164-3 . [all data]

Dias, Diogo, et al., 1990, 2
Dias, A.R.; Diogo, H.P.; Minas da Piedade, M.E.; Simoes, J.A.M.; Carson, A.S.; Jamea, E.H., Standard enthalpies of formation of gaseous dicyclopentadienylmolybdenum and -tungsten dihydrides, J. Organomet. Chem., 1990, 391, 361-366. [all data]

Calado, Dias, et al., 1979, 2
Calado, J.C.G.; Dias, A.R.; Martinho Simões, J.A.; Ribeiro da Silva, M.A.V., Rev. Port. Quím., 1979, 21, 129. [all data]

Calado, Dias, et al., 1980
Calado, J.C.G.; Dias, A.R.; Martinho Simões, J.A., J. Organometal. Chem., 1980, 195, 203. [all data]

Calado, Dias, et al., 1979, 3
Calado, J.C.G.; Dias, A.R.; Martinho Simões, J.A.; Ribeiro da Silva, M.A.V., J. Organometal. Chem., 1979, 174, 77. [all data]

Notes

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• Symbols used in this document:
  

  cH°solid	Enthalpy of combustion of solid at standard conditions
  fH°gas	Enthalpy of formation of gas at standard conditions
  fH°solid	Enthalpy of formation of solid at standard conditions
  rH°	Enthalpy of reaction at standard conditions
  subH	Enthalpy of sublimation
  subH°	Enthalpy of sublimation at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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