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Ruthenium, bis(«eta»5-Cyclopentadienyl)

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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
MS - José A. Martinho Simões

Quantity Value Units Method Reference Comment
Tboil549.KN/ABaev, Barkatin, et al., 1979Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tfus479.3KN/ABaev, Barkatin, et al., 1979Crystal phase 1 phase; Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Deltasub82.7 ± 1.7kJ/molN/ABaev and Barkatin, 1984AC
Deltasub82.7 ± 1.7kJ/molN/ABaev and Barkatin, 1984Another value for the enthalpy of sublimation has been reported: 77.6 ± 1.3 kJ/mol Turnbull, 1967; MS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Reference Comment
53.6 ± 1.4511.Baev and Barkatin, 1984Based on data from 479. - 544. K.; AC

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Reference Comment
76.2 ± 1.4383. - 479.Baev and Barkatin, 1984AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
Proton affinity (review)899.1kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity876.8kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
~7.2EQRyan, Eyler, et al., 1992T = 350K; LL
7.50 ± 0.25EIFlesch, Junk, et al., 1972LLK
7.8 ± 0.1EIMuller and D'Or, 1967RDSH
7.45PECauletti, Green, et al., 1980Vertical value; LLK
7.45PEEvans, Green, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H3Ru+19.6 ± 0.2?EIFlesch, Junk, et al., 1972LLK
C5H5Ru+14.75 ± 0.25C5H5EIFlesch, Junk, et al., 1972LLK
C5H5Ru+14.3 ± 0.2?EIMuller and D'Or, 1967RDSH
C8H8Ru+14.6 ± 0.2C2H2EIFlesch, Junk, et al., 1972LLK
C8H8Ru+13.7 ± 0.2?EIMuller and D'Or, 1967RDSH
Ru+16.50 ± 0.25(C5H5)2EIFlesch, Junk, et al., 1972LLK
Ru+16.1 ± 0.5?EIMuller and D'Or, 1967RDSH

IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin WYANDOTTE CHEMICALS CORP., WYANDOTTE, MICHIGAN, USA
Source reference COBLENTZ NO. 3140
Date Not specified, most likely prior to 1970
State SOLID (MINERAL OIL MULL)
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Path length
SPECTRAL CONTAMINATION DUE TO OIL AROUND 2900 CM-1
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


Mass spectrum (electron ionization)

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

Spectrum

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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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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 Japan AIST/NIMC Database- Spectrum MS-NW-9958
NIST MS number 239153

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Baev, Barkatin, et al., 1979
Baev, A.K.; Barkatin, A.A.; Gubin, S.P.; Dyagileva, S.P., Thermodynamics of phase transitions and vapor state of some compounds of elements with incomplete d-shells in Vses. Konf. po Kalorimetrii i Khim. Termodinamike, 8th, Ivanovo, p 386-389, 1979. [all data]

Baev and Barkatin, 1984
Baev, A.K.; Barkatin, A.A., Russ. J. Phys. Chem., 1984, 58, 195. [all data]

Turnbull, 1967
Turnbull, A.G., Austral. J. Chem., 1967, 20, 2757. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Ryan, Eyler, et al., 1992
Ryan, M.F.; Eyler, J.R.; Richardson, D.E., Adiabatic ionization energies, bond disruption enthalpies, and solvation free energies for gas-phase metallocenes and metallocenium ions, J. Am. Chem. Soc., 1992, 114, 8611. [all data]

Flesch, Junk, et al., 1972
Flesch, G.D.; Junk, G.A.; Svec, H.J., Ionization efficiency data and fragmentation mechanisms for ferrocene, nickelocene, and ruthenocene, J. Chem. Soc. Dalton Trans., 1972, 1102. [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]

Cauletti, Green, et al., 1980
Cauletti, C.; Green, J.C.; Kelly, M.R.; Powell, P.; Van Tilborg, J., Photoelectron spectra of metallocenes, J. Electron Spectrosc. Relat. Phenom., 1980, 19, 327. [all data]

Evans, Green, et al., 1972
Evans, S.; Green, M.L.H.; Jewitt, B.; Orchard, A.F.; Pygall, C.F., Electronic structure of metal complexes containing «pi»-cyclopentadienyl and related ligands, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1847. [all data]


Notes

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