Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

bis(«eta»5-Cyclopentadienyl) chromium

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Free Links, 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: José A. Martinho Simões

Quantity Value Units Method Reference Comment
Deltafgas249.3 ± 2.9kJ/molReviewMartinho Simões 
Deltafgas257.0 ± 3.3kJ/molReviewMartinho Simões 

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Free Links, 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:
MS - José A. Martinho Simões
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafsolid178.3 ± 2.6kJ/molReviewMartinho SimõesMS
Deltafsolid186. ± 3.kJ/molCC-SBChipperfield, Sneyd, et al., 1979Value corrected based on a set of ancillary data by J.A. Martinho Simões; The enthalpy of combustion is not reported in Chipperfield, Sneyd, et al., 1979; MS
Quantity Value Units Method Reference Comment
Deltacsolid-6112.8 ± 2.1kJ/molCC-SBTel'noi, Kirynov, et al., 1975Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS
Quantity Value Units Method Reference Comment
solid,1 bar236.0J/mol*KN/ARabinovich, Nistratov, et al., 1978DH
solid,1 bar236.0J/mol*KN/ARabinovich, Nistratov, et al., 1975DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
198.5298.Chhor, Pommier, et al., 1984T = 10 to 300 K. Unsmoothed experimental datum.; DH
199.2298.15Rabinovich, Nistratov, et al., 1978T = 5 to 300 K.; DH
199.1298.15Rabinovich, Nistratov, et al., 1975T = 5 to 298.15 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Free Links, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus452.1KN/ABaev, Barkatin, et al., 1979Crystal phase 1 phase; Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Deltasub71.0 ± 1.3kJ/molCC-SBBaev, Barkatin, et al., 1984Other values for the enthalpy of sublimation have been reported: 62.8 ± 4.2 kJ/mol Pilcher and Skinner, 1982 and 69.9 ± 1.7 kJ/mol Tel'noi and Rabinovich, 1977; MS
Deltasub71.0kJ/molN/ABaev, Barkatin, et al., 1984, 2AC
Deltasub62.8 ± 4.2kJ/molN/APilcher and Skinner, 1983See also Tel'noi, Kirynov, et al., 1975.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Reference Comment
49.5 ± 1.5485.Baev, Barkatin, et al., 1984, 2Based on data from 452. - 519. K.; AC

Temperature of phase transition

Ttrs (K) Initial Phase Final Phase Reference Comment
160. - 230.crystaline, IIcrystaline, IPommier and Azokpota, 1976S = 1.5 J/mol*K Lambda type transition.; DH

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.26599.7crystaline, IIcrystaline, IRabinovich, Nistratov, et al., 1978Lambda transition between 75 to 140 K with a maximum at 99.7 K and another flat peak at 118 K.; DH
0.26599.5crystaline, IIcrystaline, IRabinovich, Nistratov, et al., 1975Lambda transition between 75 to 140 K with a maximum at 99.7 K and another flat peak at 118 K.; DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
2.5599.7crystaline, IIcrystaline, IRabinovich, Nistratov, et al., 1978Lambda; DH
2.5799.5crystaline, IIcrystaline, IRabinovich, Nistratov, et al., 1975Lambda; DH

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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Free Links, 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: José A. Martinho Simões

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

bis(η(5)-Cyclopentadienyl) chromium (solution) + Carbon monoxide (solution) = C11H10CrO (solution)

By formula: C10H10Cr (solution) + CO (solution) = C11H10CrO (solution)

Quantity Value Units Method Reference Comment
Deltar-78.7 ± 2.1kJ/molEqSWong and Brintzinger, 1975solvent: Toluene; Temperature range: 280-308 K

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), NIST Free Links, 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C10H10Cr+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
5.50PERabalais, Werme, et al., 1972LLK
6.3 ± 0.1EIMuller and D'Or, 1967RDSH
5.70PECauletti, Green, et al., 1980Vertical value; LLK
5.71PEEvans, Green, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H5Cr+12.8 ± 0.1?EIMuller and D'Or, 1967RDSH
Cr+14.6 ± 0.3?EIMuller and D'Or, 1967RDSH

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, NIST Free Links, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

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

Due to licensing restrictions, this spectrum cannot be downloaded.

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 Chemical Concepts
NIST MS number 150242

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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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.

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

Chipperfield, Sneyd, et al., 1979
Chipperfield, J.R.; Sneyd, J.C.R.; Webster, D.E., J. Organometal. Chem., 1979, 178, 177. [all data]

Tel'noi, Kirynov, et al., 1975
Tel'noi, V.I.; Kirynov, K.V.; Ermolaev, V.I.; Rabinovich, I.B., Dokl. Akad. Nauk SSSR, 1975, 220, 1088. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Tel'noi and Rabinovich, 1977
Tel'noi, V.I.; Rabinovich, I.B., Russ. Chem. Rev., 1977, 46, 689. [all data]

Rabinovich, Nistratov, et al., 1978
Rabinovich, I.B.; Nistratov, V.P.; Sheiman, M.S.; Burchalova, G.V., Heat capacities of dicyclopentadienyl compounds of vanadium, chromium, manganese, cobalt, and nickel, J. Chem. Thermodynam., 1978, 10, 523-536. [all data]

Rabinovich, Nistratov, et al., 1975
Rabinovich, I.B.; Nistratov, V.P.; Sheiman, M.S.; Burchalova, G.V., Heat capacity and transitions in solid state. Dicyclopentadienyl compounds of transition elements,Quatrieme Conference International de Thermodynamique Chimique II, Thermophysiques (capacites thermiques) pp., 1975, 69-76, 136. [all data]

Chhor, Pommier, et al., 1984
Chhor, K.; Pommier, C.; Diot, M., Low-temperature thermodynamic study of the stable and metastable phases of (C4H4N)Fe(C5H5) (C4H4P)Fe(C5H5), and (C5H5)2 Cr crystals, J. Chem. Thermodynam., 1984, 16, 503-517. [all data]

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, Barkatin, et al., 1984
Baev, A.K.; Barkatin, A.A.; Dargileva, L.M., Vesti Akad. Navuk BSSR, Ser. Khim. Navuk, 1984, 60.. [all data]

Pilcher and Skinner, 1982
Pilcher, G.; Skinner, H.A., In The Chemistry of the Metal-Carbon Bond Wiley: New York, Hartley, F. R.; Patai, S., ed(s)., 1982. [all data]

Baev, Barkatin, et al., 1984, 2
Baev, A.K.; Barkatin, A.A.; Dyagileva, L.M., Vestsi Akad. Navuk BSSR Ser. Khim. Navuk, 1984, 60. [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]

Pommier and Azokpota, 1976
Pommier, C.; Azokpota, C., Study of phase transitions in metallocenes by determining specific heat curves, J. Calorim. Anal. Therm. [C.R.], 1976, 3-6, 1-8. [all data]

Wong and Brintzinger, 1975
Wong, K.L.T.; Brintzinger, H.H., J. Am. Chem. Soc., 1975, 97, 5143. [all data]

Rabalais, Werme, et al., 1972
Rabalais, J.W.; Werme, L.O.; Bergmark, T.; Karlsson, L.; Hussain, M.; Siegbahn, K., Electron spectroscopy of open-shell systems: spectra of Ni(C5H5)2, Fe(C5H5)2, Mn(C5H5)2, and Cr(C5H5)Å2, J. Chem. Phys., 1972, 57, 1185. [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., 1974
Evans, S.; Green, M.L.H.; Jewitt, B.; King, G.H.; Orchard, A.F., Electronic structures of metal complexes containing the «pi»-cyclopentadienyl and related ligands Part 2. He I photoelectron spectra of the open-shell metallocenes, J. Chem. Soc. Faraday Trans. 2, 1974, 70, 356. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Free Links, References