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


Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
Δfgas-221.8 ± 9.6kJ/molReviewMartinho Simões 

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
Δfsolid-309.7 ± 8.7kJ/molReviewMartinho Simões 

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub87.9 ± 4.0kJ/molHAL-HFCBrown, Connor, et al., 1977Another value for the enthalpy of sublimation has been reported: 94.1 ± 4.2 kJ/mol Adedeji, Brown, et al., 1975; MS
Δsub94.1kJ/molCAdedeji, Lalage, et al., 1975AC

Gas phase ion energetics data

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

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)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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: 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 D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 61367

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, 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]

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

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