Bis(η5-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
Δfgas79.95 ± 0.79kcal/molReviewMartinho Simões 
Δfgas74.2 ± 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
Δfsolid59.85 ± 0.69kcal/molReviewMartinho Simões 
Δfsolid54.1 ± 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
Δcsolid-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
Δsub20.1 ± 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
Δsub23.0 ± 0.50kcal/molN/APilcher and Skinner, 1983See also Calado, Dias, et al., 1979 and Tel'noi, Rabinovich, et al., 1976.; AC

Enthalpy of sublimation

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

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

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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(η-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]

Nakato, Chiyoda, et al., 1974
Nakato, Y.; Chiyoda, T.; Tsubomura, H., Experimental determination of ionization potentials of organic amines, β-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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