Rhenium, pentacarbonyliodo-

Formula: C₅IO₅Re
Molecular weight: 453.162
IUPAC Standard InChI: InChI=1S/5CO.HI.Re/c5*1-2;;/h;;;;;1H;/q;;;;;;+1/p-1
IUPAC Standard InChIKey: DGSSBNZHZQWZBU-UHFFFAOYSA-M
CAS Registry Number: 13821-00-6
Chemical structure:
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Other names: Rhenium, pentacarbonyliodo-, (OC-6-22)-; Pentacarbonyliodorhenium
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Reaction thermochemistry data

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Data compiled by: José A. Martinho Simões

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Individual Reactions

(cr) + (cr) = 2 Rhenium, pentacarbonyliodo- (cr)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-41.1 ± 4.3	kcal/mol	PC	Harel and Adamson, 1986	The reaction enthalpy was calculated from the enthalpy of the same reaction in cyclohexane, -37.6 ± 3.8 kcal/mol, and from the solution enthalpies of Re2(CO)10(cr), 8.20 ± 0.50 kcal/mol, I2(cr), 4.90 ± 0.1 kcal/mol, and Re(CO)5(I)(cr), 8.3 ± 1.0 kcal/mol Harel and Adamson, 1986

(solution) + (solution) = 2 Rhenium, pentacarbonyliodo- (solution)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-37.6 ± 3.8	kcal/mol	PC	Harel and Adamson, 1986	solvent: Cyclohexane; Please also see Adamson, Vogler, et al., 1978.

C₁₀MnO₁₀Re (solution) + (solution) = Rhenium, pentacarbonyliodo- (solution) + (solution)

By formula: C₁₀MnO₁₀Re (solution) + I₂ (solution) = C₅IO₅Re (solution) + C₅IMnO₅ (solution)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-55.7 ± 3.0	kcal/mol	PC	Harel and Adamson, 1986	solvent: Cyclohexane

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
8.64 ± 0.03	EI	Junk, Svec, et al., 1968	RDSH
8.36	PE	Higginson, Lloyd, et al., 1975	Vertical value; LLK
8.32	PE	Hall, 1975	Vertical value; LLK
8.50	PE	Ceasar, Milazzo, et al., 1974	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
COIRe⁺	16.69	4CO	EI	Junk, Svec, et al., 1968	RDSH
C₂O₂IRe⁺	14.65	3CO	EI	Junk, Svec, et al., 1968	RDSH
C₃O₃IRe⁺	12.04	2CO	EI	Junk, Svec, et al., 1968	RDSH
C₃O₃Re⁺	14.71	?	EI	Junk, Svec, et al., 1968	RDSH
C₄O₄IRe⁺	10.29	CO	EI	Junk, Svec, et al., 1968	RDSH
ReI⁺	19.20	5CO	EI	Junk, Svec, et al., 1968	RDSH
Re⁺	>23.	?	EI	Junk, Svec, et al., 1968	RDSH

Mass spectrum (electron ionization)

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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner	NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	B.F.G.JOHNSON DEPT. OF CHEM., UNIV. OF MANCHESTER, UK
NIST MS number	17737

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References

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

Junk, Svec, et al., 1968
Junk, G.A.; Svec, H.J.; Angelici, R.J., Electron impact studies of manganese and rhenium pentacarbonyl halides, J. Am. Chem. Soc., 1968, 90, 5758. [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]

Ceasar, Milazzo, et al., 1974
Ceasar, G.P.; Milazzo, P.; Cihonski, J.L.; Levenson, R.A., Photoelectron spectra of osmium and ruthenium tetroxide, J. Am. Chem. Soc., 1974, 13, 3035. [all data]

Notes

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Symbols used in this document:

AE Appearance energy

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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