Manganocene


Gas phase thermochemistry 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 by: José A. Martinho Simões

Quantity Value Units Method Reference Comment
Δfgas66.18 ± 0.72kcal/molReviewMartinho Simões 
Δfgas65.42 ± 0.62kcal/molReviewMartinho Simões 

Condensed phase thermochemistry 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:
MS - José A. Martinho Simões
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfsolid48.09 ± 0.60kcal/molReviewMartinho SimõesMS
Δfsolid47.3 ± 0.5kcal/molCC-SBChipperfield, Sneyd, et al., 1979Value corrected based on a set of ancillary data by J.A. Martinho Simões; The value for the enthalpy of combustion is not reported in Chipperfield, Sneyd, et al., 1979.; MS
Quantity Value Units Method Reference Comment
Δcsolid-1440.7 ± 0.50kcal/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 bar60.11cal/mol*KN/ARabinovich, Nistratov, et al., 1978DH
solid,1 bar60.09cal/mol*KN/ARabinovich, Nistratov, et al., 1975DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
49.81298.15Rabinovich, Nistratov, et al., 1978T = 5 to 300 K.; DH
49.83298.15Rabinovich, Nistratov, et al., 1975T = 5 to 298.15 K.; DH

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:
MS - José A. Martinho Simões
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δsub18.1 ± 0.41kcal/molCC-SBPilcher and Skinner, 1982Another literature value for the enthalpy of sublimation has been reported: 17.3 kcal/mol Wilkinson, Cotton F.A., et al., 1956; MS

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.009855. to 75.crystaline, IIcrystaline, IRabinovich, Nistratov, et al., 1975Lambda transition.; DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.1555. to 75.crystaline, IIcrystaline, IRabinovich, Nistratov, et al., 1975Lambda; DH

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 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

View reactions leading to C10H10Mn+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
6.18EQRyan, Eyler, et al., 1992T = 350K; LL
6.55PERabalais, Werme, et al., 1972LLK
7.3 ± 0.1EIMuller and D'Or, 1967RDSH
6.26PECauletti, Green, et al., 1980Vertical value; LLK
6.26PEEvans, Green, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H5Mn+11.1 ± 0.1?EIMuller and D'Or, 1967RDSH
Mn+13.6 ± 0.3?EIMuller and D'Or, 1967RDSH

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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Additional Data

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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 152498

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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]

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]

Wilkinson, Cotton F.A., et al., 1956
Wilkinson, G.; Cotton F.A.; Birmingham, J.M., J. Inorg. Nucl. Chem., 1956, 2, 95. [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]

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 π-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

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