Ruthenium, bis(η5-Cyclopentadienyl)
- Formula: C10H10Ru
- Molecular weight: 231.26
- IUPAC Standard InChIKey: BKEJVRMLCVMJLG-UHFFFAOYSA-N
- CAS Registry Number: 1287-13-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Ruthenocene
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Phase change data
Go To: Top, Gas phase ion energetics data, IR Spectrum, References, Notes
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 |
---|---|---|---|---|---|
Tboil | 549. | K | N/A | Baev, Barkatin, et al., 1979 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 479.3 | K | N/A | Baev, Barkatin, et al., 1979 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 82.7 ± 1.7 | kJ/mol | N/A | Baev and Barkatin, 1984 | AC |
ΔsubH° | 82.7 ± 1.7 | kJ/mol | N/A | Baev and Barkatin, 1984 | Another value for the enthalpy of sublimation has been reported: 77.6 ± 1.3 kJ/mol Turnbull, 1967; MS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
53.6 ± 1.4 | 511. | Baev and Barkatin, 1984 | Based on data from 479. to 544. K.; AC |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
76.2 ± 1.4 | 383. to 479. | Baev and Barkatin, 1984 | AC |
Gas phase ion energetics data
Go To: Top, Phase change data, IR Spectrum, References, Notes
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) | 899.1 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 876.8 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
~7.2 | EQ | Ryan, Eyler, et al., 1992 | T = 350K; LL |
7.50 ± 0.25 | EI | Flesch, Junk, et al., 1972 | LLK |
7.8 ± 0.1 | EI | Muller and D'Or, 1967 | RDSH |
7.45 | PE | Cauletti, Green, et al., 1980 | Vertical value; LLK |
7.45 | PE | Evans, Green, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C3H3Ru+ | 19.6 ± 0.2 | ? | EI | Flesch, Junk, et al., 1972 | LLK |
C5H5Ru+ | 14.75 ± 0.25 | C5H5 | EI | Flesch, Junk, et al., 1972 | LLK |
C5H5Ru+ | 14.3 ± 0.2 | ? | EI | Muller and D'Or, 1967 | RDSH |
C8H8Ru+ | 14.6 ± 0.2 | C2H2 | EI | Flesch, Junk, et al., 1972 | LLK |
C8H8Ru+ | 13.7 ± 0.2 | ? | EI | Muller and D'Or, 1967 | RDSH |
Ru+ | 16.50 ± 0.25 | (C5H5)2 | EI | Flesch, Junk, et al., 1972 | LLK |
Ru+ | 16.1 ± 0.5 | ? | EI | Muller and D'Or, 1967 | RDSH |
IR Spectrum
Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes
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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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 |
References
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, 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 π-cyclopentadienyl and related ligands,
J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1847. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point Tfus Fusion (melting) point ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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