Tricyclo[2.2.1.0(2,6)]heptane

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas80. ± 20.kJ/molAVGN/AAverage of 6 values; Individual data points

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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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 C7H10+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.7PEDella, Pigou, et al., 1985LBLHLM
8.92 ± 0.01EIHolmes and McGillivray, 1971LLK
9.02PEBodor, Dewar, et al., 1970RDSH
9.37PEDella, Pigou, et al., 1985Vertical value; LBLHLM
9.40PEHaselbach, Heilbronner, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H6+9.44 ± 0.01C2H4EIHolmes and McGillivray, 1971LLK
C6H7+10.17 ± 0.01CH3EIHolmes and McGillivray, 1971LLK
C7H9+11.3 ± 0.01HEIHolmes and McGillivray, 1971LLK

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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Mass 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 Chemical Concepts
NIST MS number 156636

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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.

Della, Pigou, et al., 1985
Della, E.W.; Pigou, P.E.; Livett, M.K.; Peel, J.B., The photoelectron spectrum of 1-bromotricyclene, Aust. J. Chem., 1985, 38, 69. [all data]

Holmes and McGillivray, 1971
Holmes, J.L.; McGillivray, D., The mass spectra of isomeric hydrocarbons-I: Norbornene and nortricyclene; The mechanisms and energetics of their fragmentations, Org. Mass Spectrom., 1971, 5, 1349. [all data]

Bodor, Dewar, et al., 1970
Bodor, N.; Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. III. Ionization potentials of some cyclic hydrocarbons and their derivatives, and heats of formation and ionization potentials calculated by the MINDO SCF MO method, J. Am. Chem. Soc., 1970, 92, 19. [all data]

Haselbach, Heilbronner, et al., 1972
Haselbach, E.; Heilbronner, E.; Musso, H.; Schmelzer, A., Notiz uber die Photoelektronen-Spektren des Nortricyclens und des Triasterans, Helv. Chim. Acta, 1972, 55, 302. [all data]


Notes

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