Chromium, tricarbonyl[(1,2,3,4,5,6-η)-1,3,5-cycloheptatriene]-


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
Δfgas-53.0 ± 2.3kcal/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 by: José A. Martinho Simões

Quantity Value Units Method Reference Comment
Δfsolid-74.0 ± 2.1kcal/molReviewMartinho Simões 

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
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub21.0 ± 0.96kcal/molHAL-HFCBrown, Connor, et al., 1977Another value for the enthalpy of sublimation has been reported: 22.5 ± 1.0 kcal/mol Adedeji, Brown, et al., 1975; MS
Δsub22.5kcal/molCAdedeji, Lalage, et al., 1975AC

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:
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
6.9 ± 0.2EIDavis, Ojo, et al., 1978LLK
7.10EIMuller, 1969RDSH
7.18PEFragala, Ciliberto, et al., 1979Vertical value; LLK
7.30 ± 0.05PEGower, Kane-Maguire, et al., 1977Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H8Cr+10.2 ± 0.23COEIDavis, Ojo, et al., 1978LLK
Cr+13.3 ± 0.2C7H8+3COEIDavis, Ojo, et al., 1978LLK

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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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 D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 61367

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References

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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]

Brown, Connor, et al., 1977
Brown, D.L.S.; Connor, J.A.; Demain, C.P.; Leung, M.L.; Martinho Simões, J.A.; Skinner, H.A.; Zafarani- Moattar, M.T., J. Organometal. Chem., 1977, 142, 321. [all data]

Adedeji, Brown, et al., 1975
Adedeji, F.A.; Brown, D.L.S.; Connor, J.A.; Leung, M.; Paz-Andrade, I.M.; Skinner, H.A., J. Organometal. Chem., 1975, 97, 221. [all data]

Adedeji, Lalage, et al., 1975
Adedeji, Festus A.; Lalage, D.; Brown, S.; Connor, Joseph A.; Leung, May L.; Paz-Andrade, I. Maria; Skinner, Henry A., Thermochemistry of arene chromium tricarbonyls and the strenghts of arene-chromium bonds, Journal of Organometallic Chemistry, 1975, 97, 2, 221-228, https://doi.org/10.1016/S0022-328X(00)89468-1 . [all data]

Davis, Ojo, et al., 1978
Davis, R.; Ojo, I.A.; Webb, M.L., Mass spectrometry of transition-metal π-complexes, V.-Fragmentation and structure of chromium-coordinated [C7H8]+ and [C8H10]+ ions, Org. Mass Spectrom., 1978, 13, 547. [all data]

Muller, 1969
Muller, J., Ionisierungspotentiale von substituierten Benzolchrom-tricarbonyl-Komplexen, J. Organometal. Chem., 1969, 18, 321. [all data]

Fragala, Ciliberto, et al., 1979
Fragala, I.; Ciliberto, E.; Granozzi, G.; Deganello, G., He-I and He-II excited photoelectron spectra of cycloheptatrienetricarbonyl complexes of group VIA metals, J. Organomet. Chem., 1979, 182, 511. [all data]

Gower, Kane-Maguire, et al., 1977
Gower, M.; Kane-Maguire, L.A.P.; Maier, J.P.; Sweigart, D.A., Ultraviolet photoelectron spectra of cyclohepta-1,3,5-triene and mesitylene tricarbonyl complexes of the group 6A metals, J. Chem. Soc. Dalton Trans., 1977, 316. [all data]


Notes

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