Bis(η⁵-cyclopentadienyl)tungsten dihydride

Formula: C₁₀H₁₂W
Molecular weight: 316.04
CAS Registry Number: 1271-33-6
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Other data available:
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Gas phase thermochemistry data

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Data compiled by: José A. Martinho Simões

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	79.95 ± 0.79	kcal/mol	Review	Martinho Simões
Δ_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 compiled by: José A. Martinho Simões

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_solid	59.85 ± 0.69	kcal/mol	Review	Martinho Simões
Δ_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
Δ_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 compiled as indicated in comments:
MS - José A. Martinho Simões
AC - William E. Acree, Jr., James S. Chickos

Quantity	Value	Units	Method	Reference	Comment
Δ_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
Δ_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

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

Gas phase ion energetics data

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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 ± 0.2	LE	Nakato, Chiyoda, et al., 1974	LLK
6.5 ± 0.1	EI	Muller and D'Or, 1967	RDSH
6.4 ± 0.1	PE	Green, Jackson, et al., 1975	Vertical value; LLK

References

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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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Symbols used in this document:

Δ_cH°_solid	Enthalpy of combustion of solid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_solid	Enthalpy of formation of solid at standard conditions
Δ_subH	Enthalpy of sublimation
Δ_subH°	Enthalpy of sublimation at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Bis(η5-cyclopentadienyl)tungsten dihydride