Dirhenium decacarbonyl

Formula: C₁₀O₁₀Re₂
Molecular weight: 652.515
IUPAC Standard InChI: InChI=1S/10CO.2Re/c10*1-2;;
IUPAC Standard InChIKey: ZIZHEHXAMPQGEK-UHFFFAOYSA-N
CAS Registry Number: 14285-68-8
Chemical structure:
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Other names: Re2(CO)10; Rhenium carbonyl; Rhenium, decacarbonyldi-,; Decacarbonyldirhenium; Rhenium carbonyl (Re2(CO)10); Rhenium, decacarbonyldi-, (Re-Re)
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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	-1557.1 ± 9.1	kJ/mol	Review	Martinho Simões
Δ_fH°_gas	-1544.1 ± 6.4	kJ/mol	Review	Martinho Simões
Δ_fH°_gas	-1556.7 ± 3.9	kJ/mol	Review	Martinho Simões
Δ_fH°_gas	-1560. ± 14.	kJ/mol	Review	Martinho Simões
Δ_fH°_gas	-1554.4 ± 7.3	kJ/mol	Review	Martinho Simões	Selected data. Average of the values from Chernova, Sheiman, et al., 1973, Connor, Skinner, et al., 1973, and Al-Takhin, Connor, et al., 1983

Reaction thermochemistry data

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Data compiled by: José A. Martinho Simões

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Individual Reactions

(solution) + Dirhenium decacarbonyl (solution) = 2C₁₀MnO₁₀Re (solution)

By formula: C₁₀Mn₂O₁₀ (solution) + C₁₀O₁₀Re₂ (solution) = 2C₁₀MnO₁₀Re (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	121. ± 31.	kJ/mol	PC	Harel and Adamson, 1986	solvent: Cyclohexane; The reaction enthalpy was calculated from the enthalpies of the following reactions: Mn2(CO)10(solution) + I2(solution) = 2Mn(CO)5(I)(solution), -187.9 ± 8.4 kJ/mol, Re2(CO)10(solution) + I2(solution) = 2Re(CO)5(I)(solution), -157. ± 16. kJ/mol, and MnRe(CO)10(solution) + I2(solution) = Mn(CO)5(I)(solution) + Re(CO)5(I)(solution), -233. ± 13. kJ/mol
Δ_rH°	34.4 ± 1.3	kJ/mol	EqS	Marcomini and Poë, 1984	solvent: Decalin; Temperature range: 443-463 K

Dirhenium decacarbonyl (solution) = 2C₅O₅Re (solution)

By formula: C₁₀O₁₀Re₂ (solution) = 2C₅O₅Re (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	>166.	kJ/mol	KinS	Marcomini and Poë, 1984	solvent: Decalin; Please also see Poë, 1981. The reaction enthalpy was derived from the enthalpy of activation, 165.5 ± 0.8 kJ/mol Poë, 1981, by assuming a negligible barrier for the radical recombination. This procedure was later considered to yield a low limit of the reaction enthalpy Poë, 1983 Marcomini and Poë, 1984 Marcomini and Poë, 1983 Coville, Stolzenberg, et al., 1983. See also Schmidt, Trogler, et al., 1984

Dirhenium decacarbonyl (cr) + (cr) = 2 (cr)

By formula: C₁₀O₁₀Re₂ (cr) + I₂ (cr) = 2C₅IO₅Re (cr)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-172. ± 18.	kJ/mol	PC	Harel and Adamson, 1986	The reaction enthalpy was calculated from the enthalpy of the same reaction in cyclohexane, -157. ± 16. kJ/mol, and from the solution enthalpies of Re2(CO)10(cr), 34.3 ± 2.1 kJ/mol, I2(cr), 20.5 ± 0.4 kJ/mol, and Re(CO)5(I)(cr), 34.7 ± 4.2 kJ/mol Harel and Adamson, 1986

Dirhenium decacarbonyl (solution) + (solution) = 2 (solution)

By formula: C₁₀O₁₀Re₂ (solution) + I₂ (solution) = 2C₅IO₅Re (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-157. ± 16.	kJ/mol	PC	Harel and Adamson, 1986	solvent: Cyclohexane; Please also see Adamson, Vogler, et al., 1978.

Dirhenium decacarbonyl (cr) = 10 (g) + 2 (cr)

By formula: C₁₀O₁₀Re₂ (cr) = 10CO (g) + 2Re (cr)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	539.7 ± 5.9	kJ/mol	TD-HFC	Connor, Skinner, et al., 1973
Δ_rH°	552.3 ± 3.0	kJ/mol	HAL-HFC	Connor, Skinner, et al., 1973

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
8.49 ± 0.02	EI	Michels and Svec, 1981	LLK
8.36 ± 0.03	EI	Junk and Svec, 1970	RDSH
8.07	PE	Higginson, Lloyd, et al., 1975	Vertical value; LLK
8.86	PE	Hall, 1975	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CORe₂⁺	26.26	9CO	EI	Svec and Junk, 1967	RDSH
C₂O₂Re₂⁺	23.55	8CO	EI	Svec and Junk, 1967	RDSH
C₃O₃Re₂⁺	21.46	7CO	EI	Svec and Junk, 1967	RDSH
C₄O₄Re⁺	13.30	?	EI	Svec and Junk, 1967	RDSH
C₄O₄Re₂⁺	19.31	6CO	EI	Svec and Junk, 1967	RDSH
C₅O₅Re⁺	10.34	?	EI	Junk and Svec, 1970	RDSH
C₅O₅Re₂⁺	16.71	5CO	EI	Svec and Junk, 1967	RDSH
C₆O₆Re₂⁺	15.01	4CO	EI	Svec and Junk, 1967	RDSH
C₇O₇Re₂⁺	13.55	3CO	EI	Svec and Junk, 1967	RDSH
C₈O₈Re₂⁺	10.89	2CO	EI	Svec and Junk, 1967	RDSH
C₉O₉Re₂⁺	9.57	CO	EI	Svec and Junk, 1967	RDSH
Re⁺	37.55	?	EI	Svec and Junk, 1967	RDSH
Re₂⁺	28.96	10CO	EI	Svec and Junk, 1967	RDSH

References

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

Chernova, Sheiman, et al., 1973
Chernova, V.I.; Sheiman, M.S.; Rabinovich, I.B.; Syrkin, V.G., Trudy Khim. Khim. Tekhnol., Gorky, 1973, No. 2, 43. [all data]

Connor, Skinner, et al., 1973
Connor, J.A.; Skinner, H.A.; Virmani, Y., High temperature microcalorimetric studies of the thermal decomposition and iodination of polynuclear carbonyls of Fe, Co, Ru, Rh, Re, Os and Ir, Faraday Symp. Chem. Soc., 1973, 8, 18, https://doi.org/10.1039/fs9730800018 . [all data]

Al-Takhin, Connor, et al., 1983
Al-Takhin, G.; Connor, J.A.; Skinner, H.A., J. Organomet. Chem., 1983, 259, 313. [all data]

Harel and Adamson, 1986
Harel, Y.; Adamson, A.W., J. Phys. Chem., 1986, 90, 6693. [all data]

Marcomini and Poë, 1984
Marcomini, A.; Poë, A., J. Chem. Soc., Dalton Trans., 1984, 95.. [all data]

Poë, 1981
Poë, A., ACS Symp. Ser., 1981, No. 155, 135. [all data]

Poë, 1983
Poë, A., Chem. Brit., 1983, 19, 997. [all data]

Marcomini and Poë, 1983
Marcomini, A.; Poë, A., J. Am. Chem. Soc., 1983, 105, 6952. [all data]

Coville, Stolzenberg, et al., 1983
Coville, N.J.; Stolzenberg, A.M.; Muetterties, E.L., J. Am. Chem. Soc., 1983, 105, 2499. [all data]

Schmidt, Trogler, et al., 1984
Schmidt, S.P.; Trogler, W.C.; Basolo, F., J. Am. Chem. Soc., 1984, 106, 1308. [all data]

Adamson, Vogler, et al., 1978
Adamson, A.W.; Vogler, A.; Kunkely, H.; Wachter, R., J. Am. Chem. Soc., 1978, 100, 1298. [all data]

Michels and Svec, 1981
Michels, G.D.; Svec, H.J., Characterization of MnTc(CO)₁₀ and TcRe(CO)₁₀, Inorg. Chem., 1981, 20, 3445. [all data]

Junk and Svec, 1970
Junk, G.A.; Svec, H.J., The mass spectra, ionization potentials, and bond energies of the group VIIA decacarbonyls, J. Chem. Soc. A, 1970, 2102. [all data]

Higginson, Lloyd, et al., 1975
Higginson, B.R.; Lloyd, D.R.; Evans, S.; Orchard, A.F., Photoelectron studies of metal carbonyls. Part 5. - Substituted group VIIA carbonyls, J. Chem. Soc. Faraday Trans. 2, 1975, 71, 1913. [all data]

Hall, 1975
Hall, M.B., The use of spin-orbit coupling in the interpretation of photoelectron spectra. I. Application to substituted rhenium pentacarbonyls, J. Am. Chem. Soc., 1975, 97, 2057. [all data]

Svec and Junk, 1967
Svec, H.J.; Junk, G.A., Energetics of the ionization and dissociation of Mn₂(CO)₁₀, Re₂(CO)₁₀, and ReMn(CO)₁₀, J. Am. Chem. Soc., 1967, 89, 2836. [all data]

Notes

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Symbols used in this document:

AE Appearance energy

Δ_fH°_gas Enthalpy of formation of gas at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions

Δ_rS° Entropy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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AE	Appearance energy
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions