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Bis(«eta»5-cyclopentadienyl)tungsten dihydride


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
Deltafgas79.95 ± 0.79kcal/molReviewMartinho Simões 
Deltafgas74.2 ± 2.1kcal/molReviewMartinho SimõesThe 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
Deltafsolid59.85 ± 0.69kcal/molReviewMartinho Simões 
Deltafsolid54.1 ± 2.1kcal/molReviewMartinho SimõesThe 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
Deltacsolid-1611.7 ± 0.60kcal/molCC-SBTel'noi, Rabinovich, et al., 1976Please 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
Deltasub20.1 ± 0.38kcal/molCC-SBDias, Diogo, et al., 1990Another value for the enthalpy of sublimation has been reported: 23.0 ± 0.50 kcal/mol Tel'noi, Rabinovich, et al., 1976; MS
Deltasub23.0 ± 0.50kcal/molN/APilcher and Skinner, 1983See also Calado, Dias, et al., 1979 and Tel'noi, Rabinovich, et al., 1976.; AC

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
20.2 ± 0.38313. - 323.MEDias, Diogo, et al., 1990, 2AC

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) + 2Iodine (cr) = C10H10I2W (cr) + 2Hydrogen iodide (g)

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

Quantity Value Units Method Reference Comment
Deltar-24.9 ± 1.3kcal/molRSCCalado, Dias, et al., 1979, 2 

C10H12W (cr) + 2Carbon tetrabromide (cr) = C10H10Br2W (cr) + 2Methane, tribromo- (l)

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

Quantity Value Units Method Reference Comment
Deltar-72.30 ± 0.53kcal/molRSCCalado, Dias, et al., 1980 

C10H12W (cr) + 2Carbon Tetrachloride (l) = C10H10Cl2W (cr) + 2Trichloromethane (l)

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

Quantity Value Units Method Reference Comment
Deltar-71.96 ± 0.81kcal/molRSCCalado, Dias, et al., 1979, 3 

Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
6.4 ± 0.2LENakato, Chiyoda, et al., 1974LLK
6.5 ± 0.1EIMuller and D'Or, 1967RDSH
6.4 ± 0.1PEGreen, Jackson, et al., 1975Vertical value; LLK

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Notes

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]

Nakato, Chiyoda, et al., 1974
Nakato, Y.; Chiyoda, T.; Tsubomura, H., Experimental determination of ionization potentials of organic amines, «beta»-carotene and chlorophyll a, Bull. Chem. Soc. Jpn., 1974, 47, 3001. [all data]

Muller and D'Or, 1967
Muller, J.; D'Or, L., Massenspektrometrische Untersuchungen an Dicyclopentadienylkomplexen von Ubergangsmetallen, J.Organometal. Chem., 1967, 10, 313. [all data]

Green, Jackson, et al., 1975
Green, J.C.; Jackson, S.E.; Higginson, B., Photoelectron studies of some bent bis(n-cyclopentadienyl)metal complexes. Part I. Some eighteen-electron systems with hydride, alkyl, olefin, allyl, carbonyl ligands, J. Chem. Soc. Dalton Trans., 1975, 403. [all data]


Notes

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